./test_at_clean.sh cd antechamber && /Applications/Xcode.app/Contents/Developer/usr/bin/make -k clean Cleaning all antechamber test subdirectories: find . -name "*.dif" -print0 | xargs -0 /bin/rm -f /bin/rm -f \ ash/antechamber.out \ ash/sqm.in \ ash/sqm.out \ ash/sqm.pdb \ bondtype/antechamber.out \ c60/antechamber.out \ charmm/antechamber.out \ fluorescein/antechamber.out \ fluorescein/sqm.in \ fluorescein/sqm.out \ fpph/antechamber.out \ guanine_amber/antechamber.out \ guanine_amber/sqm.in \ guanine_amber/sqm.out \ guanine_amber/sqm.pdb \ residuegen/ala_conf1.esp \ residuegen/ala_conf2.esp \ residuegen/ANTECHAMBER_AC.AC \ residuegen/ANTECHAMBER_AC.AC0 \ residuegen/ANTECHAMBER_BOND_TYPE.AC \ residuegen/ANTECHAMBER_BOND_TYPE.AC0 \ residuegen/antechamber.out \ residuegen/ATOMTYPE.INF \ residuegen/esout \ residuegen/espgen.out \ residuegen/NEWPDB.PDB \ residuegen/PREP.INF \ residuegen/punch \ residuegen/QIN \ residuegen/qout \ residuegen/RESIDUE_GEN_MAINCHAIN.DAT \ residuegen/RESIDUE_GEN_RESP.INPUT1 \ residuegen/RESIDUE_GEN_RESP.INPUT2 \ residuegen/RESIDUE_GEN_RESP.OUTPUT1 \ residuegen/RESIDUE_GEN_RESP.OUTPUT2 \ residuegen/RESIDUE_GEN_RESPGEN.DAT \ residuegen/RESIDUE_GEN.AC \ residuegen/residuegen.out \ sustiva/antechamber.out \ sustiva/leap.log \ sustiva/prmtop \ sustiva/sqm.in \ sustiva/sqm.out \ tp/antechamber.out \ tp/sqm.out cd mmpbsa_py && /Applications/Xcode.app/Contents/Developer/usr/bin/make -k clean cd EstRAL_Files && /bin/rm -f ?.top _AnteMMPBSA_* *.dif cd 01_Generalized_Born && /bin/rm -f _MMPBSA_* mmpbsa.* FINAL_*_MMPBSA.dat *.dif *.csv cd 02_Poisson_Boltzmann && /bin/rm -f _MMPBSA_* mmpbsa.* FINAL_*_MMPBSA.dat *.dif *.csv cd 03_Alanine_Scanning && /bin/rm -f _MMPBSA_* mmpbsa.* FINAL_*_MMPBSA.dat *.dif *.csv cd 04_Per_Residue_Decomp && /bin/rm -f _MMPBSA_* mmpbsa.* FINAL_*_MMPBSA.dat *.dif *.csv cd 05_Pairwise_Decomp && /bin/rm -f _MMPBSA_* mmpbsa.* FINAL_*_MMPBSA.dat *.dif *.csv cd 06_NAB_Nmode && /bin/rm -f _MMPBSA_* mmpbsa.* FINAL_*_MMPBSA.dat *.dif *.csv cd 07_Comprehensive && /bin/rm -f _MMPBSA_* mmpbsa.* FINAL_*_MMPBSA*.dat *.dif *.csv cd 08_Stability && /bin/rm -f _MMPBSA_* mmpbsa.* FINAL_*_MMPBSA*.dat *.dif *.csv cd 09_APBS_Poisson_Boltzmann && /bin/rm -f _MMPBSA_* mmpbsa.* FINAL_*_MMPBSA.dat *.dif *.csv cd 10_QM_MMGBSA && /bin/rm -f _MMPBSA_* mmpbsa.* FINAL_*_MMPBSA.dat *.dif *.csv cd 11_3D-RISM && /bin/rm -f _MMPBSA_* mmpbsa.* FINAL_*_MMPBSA.dat *.dif *.csv cd 12_Membrane_Channel && /bin/rm -f _MMPBSA_* mmpbsa.* FINAL_*_MMPBSA.dat *.dif *.csv cd /Applications/Amber17/amber16/AmberTools/src/mm_pbsa/Examples && ./Run.mmpbsa.clean cd /Applications/Amber17/amber16/AmberTools/src/FEW/examples/test && ./Run.few.clean cd /Applications/Amber17/amber16/AmberTools/src/cpptraj/test && /Applications/Xcode.app/Contents/Developer/usr/bin/make -k clean Cleaning all test directories: (find . -name 'test.out' -o -name 'valgrind.out' -o -name 'Thread.*' \ -o -name 'Test_Results.dat' -o -name 'Test_Error.dat' | \ while read dif ;\ do \ rm -f $dif ;\ done ;\ ) /Applications/Xcode.app/Contents/Developer/usr/bin/make test.complete test.libcpptraj OPT=clean cd leap && /Applications/Xcode.app/Contents/Developer/usr/bin/make -k clean Cleaning all test directories: (find . -name 'leap.log' -o -name 'leap.out' | \ while read dif ;\ do \ rm -f $dif ;\ done ;\ ) /Applications/Xcode.app/Contents/Developer/usr/bin/make test.complete OPT=clean cd leap/glycam/06j && ./Run.glycam clean cd leap/glycam/06EPb && ./Run.glycam clean cd leap/glycam/06j_10 && ./Run.glycam clean cd leap/glycam/06j_12SB && ./Run.glycam clean cd nab && /Applications/Xcode.app/Contents/Developer/usr/bin/make -k test Running test to do simple minimization (this tests the molecular mechanics interface) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.sff: Program error make[3]: *** [sff_test] Error 1 Running test to do simple minimization with shake (this tests the molecular mechanics interface) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.shake: Program error make[3]: *** [rattle_min_test] Error 1 Running test to do simple minimization (this tests the generalized Born implementation) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gb: Program error make[3]: *** [gb_test] Error 1 Running test to do simple minimization (this tests the generalized Born implementation) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.xfin: Program error make[3]: *** [xfin_test] Error 1 Running test to do simple minimization (this tests the LCPO surface area) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gbsa: Program error make[3]: *** [gbsa_test] Error 1 Running test to do simple minimization (this tests the ao generalized Born implementation) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gb2: Program error make[3]: *** [gb2_test] Error 1 Running test to do simple minimization (this tests the ao-2 generalized Born implementation) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gb5: Program error make[3]: *** [gb5_test] Error 1 Running test to do simple minimization (this tests the GB Neck implementation; gb==8) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gb8: Program error make[3]: *** [gb8_test] Error 1 Running test to do simple minimization (this tests the GB Neck implementation; gb==7) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gb7: Program error make[3]: *** [gb7_test] Error 1 Running test to do molecular dynamics with rattle Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.rattle_md: Program error make[3]: *** [rattle_md_test] Error 1 Running test to compute NAB energy of 3dfr minus waters. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dhfrndpmtx: Program error make[3]: *** [dhfrndpmtx_test] Error 1 Running test to compute GB Newton-Raphson and normal modes: Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.asp: Program error make[3]: *** [asp_test] Error 1 Running test to compute non-GB Newton-Raphson and normal modes: Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.aspnb: Program error make[3]: *** [aspnb_test] Error 1 Running test to create Amber force-field description Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.prm: Program error make[3]: *** [prm_test] Error 1 Running test to do simple xmin minimization Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.xmin: Program error make[3]: *** [xmin_test] Error 1 Running test on netcdf files Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.netcdf: Program error make[3]: *** [netcdf_test] Error 1 Running test for variable 1-4 scaled nonbonded interactions Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.variable_14: Program error make[3]: *** [variable_14test] Error 1 Running test to do simple lmod optimization Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) diffing tlmod.out.check with tlmod.out PASSED ============================================================== Running test to compute GB normal modes using DSYEVD: Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmode1: Program error make[3]: *** [nmode1_test] Error 1 Running test to compute GB normal modes using DSAUPD: Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmode2: Program error make[3]: *** [nmode2_test] Error 1 Running test to compute Langevin modes: Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmode3: Program error make[3]: *** [nmode3_test] Error 1 Running test of the isotropic periodic sum technique Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ips: Program error make[3]: *** [ips_test] Error 1 Running test to do simple minimization (libpbsa) (this tests the PBSA implementation) Please note that PARALLEL PBSA is not implemented in nab. ============================================================================ make[3]: Target `test' not remade because of errors. make[2]: *** [test.nab] Error 2 cd /Applications/Amber17/amber16/AmberTools/src/cpptraj/test && /Applications/Xcode.app/Contents/Developer/usr/bin/make -k test /Applications/Xcode.app/Contents/Developer/usr/bin/make test.complete summary ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_General CPPTRAJ: General tests This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Parallel CPPTRAJ: Parallel tests. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file d1-12.dat does not exist. ============================================================== possible FAILURE: file a1-6-12.dat does not exist. ============================================================== possible FAILURE: file phi2.dat does not exist. ============================================================== possible FAILURE: file rmsd.dat does not exist. ============================================================== possible FAILURE: file avg.rst7 does not exist. ============================================================== Test 'Parallel test with trajectory offset' requires compilation with Pnetcdf. Cpptraj was compiled without Pnetcdf support. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Strip Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: One frame strip command test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file dummy.pdb.1 does not exist. ============================================================== possible FAILURE: file dummy.rst7 does not exist. ============================================================== possible FAILURE: file strip.tz2.truncoct.parm7 does not exist. ============================================================== CPPTRAJ: Unstrip (Lig/Rec/Complex) command test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file complex.tz2.truncoct.parm7 does not exist. ============================================================== possible FAILURE: file receptor.tz2.truncoct.parm7 does not exist. ============================================================== possible FAILURE: file ligand.tz2.truncoct.parm7 does not exist. ============================================================== possible FAILURE: file Ligand.crd does not exist. ============================================================== possible FAILURE: file Receptor.crd does not exist. ============================================================== possible FAILURE: file Complex.crd does not exist. ============================================================== CPPTRAJ: Multi frame strip command test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file res1.tz2.crd does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_BrokenTraj CPPTRAJ: Broken Traj This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_TrajinOffset CPPTRAJ: Normal trajectory read with offsets. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rem.crd.combined does not exist. ============================================================== CPPTRAJ: Gzipped trajectory read with offsets. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file gzip.rem.crd.combined does not exist. ============================================================== CPPTRAJ: Bzip2ed trajectory read with offsets. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file bzip2.rem.crd.combined does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_RemdTraj Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: CRD Replica Trajectory Run with offset Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file d1.offset.dat does not exist. ============================================================== CPPTRAJ: CRD Replica Trajectory Run Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file d1.crd.dat does not exist. ============================================================== CPPTRAJ: NETCDF Replica Trajectory Run Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file d1.nc.dat does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) (standard_in) 1: parse error CPPTRAJ: CRD Replica Trajectory Run with remdout Warning: Test requires a multiple of 4 parallel threads. Skipping. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_trajout_framerange CPPTRAJ: Trajout Frame Range This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_PerResRMSD CPPTRAJ: Per-Residue RMSD Test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file PerResRMSD.agr does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Per-Residue RMSD Test with averaging. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file perresavg.dat does not exist. ============================================================== CPPTRAJ: Per-Residue RMSD Test with residue centering. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file center.agr does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_DSSP CPPTRAJ: Secstruct (DSSP) command test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file dssp.gnu does not exist. ============================================================== possible FAILURE: file dssp.sum.agr does not exist. ============================================================== possible FAILURE: file total.agr does not exist. ============================================================== possible FAILURE: file DSSP.assign.dat does not exist. ============================================================== CPPTRAJ: Secstruct (DSSP) command test, Ptraj Format. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file dssp.dat does not exist. ============================================================== possible FAILURE: file dssp.dat.sum does not exist. ============================================================== CPPTRAJ: Secstruct (DSSP) command with changing number of residues. This test cannot be run in parallel. Skipping test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Secstruct (DSSP): SS assign output test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file assign.4.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Center Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Center command test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file centered.crd does not exist. ============================================================== CPPTRAJ: Center origin command test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file origin.centered.crd does not exist. ============================================================== CPPTRAJ: Center origin mass command test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file origin.mass.centered.crd does not exist. ============================================================== CPPTRAJ: Center reference command test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file ref.centered.crd does not exist. ============================================================== CPPTRAJ: Center point test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file point.centered.crd does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Hbond CPPTRAJ: Solute Hbond test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file nhb.dat does not exist. ============================================================== possible FAILURE: file avghb.dat does not exist. ============================================================== possible FAILURE: file nbb.dat does not exist. ============================================================== possible FAILURE: file hbavg.dat does not exist. ============================================================== possible FAILURE: file solutehb.agr does not exist. ============================================================== possible FAILURE: file lifehb.gnu does not exist. ============================================================== possible FAILURE: file avg.lifehb.gnu does not exist. ============================================================== possible FAILURE: file max.lifehb.gnu does not exist. ============================================================== possible FAILURE: file crv.lifehb.gnu does not exist. ============================================================== CPPTRAJ: Solvent Hbond test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file solvhb.dat does not exist. ============================================================== possible FAILURE: file solvavg.dat does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Hbond with imaging Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file hb1.dat does not exist. ============================================================== possible FAILURE: file hb2.dat does not exist. ============================================================== CPPTRAJ: Hbond, no intramolecular hydrogen bonds test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file hbond.mol.dat does not exist. ============================================================== possible FAILURE: file mol.avg.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_NCrestart Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: NetCDF Restart Test - TXT->NetCDF Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 CPPTRAJ: NetCDF Restart Test - NetCDF->TXT Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file text.rst7 does not exist. ============================================================== CPPTRAJ: NetCDF Restart w/ box Test - Txt->NetCDF Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 CPPTRAJ: NetCDF Restart w/ box Test - NetCDF->Txt Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file text.rst7 does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Image CPPTRAJ: Orthorhombic imaged distance test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file ortho.dat does not exist. ============================================================== CPPTRAJ: Non-orthorhombic imaged distance test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file nonortho.dat does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Orthorhombic coordinate imaging test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file image.crd does not exist. ============================================================== CPPTRAJ: Nonorthorhombic coordinate imaging test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file image2.crd does not exist. ============================================================== CPPTRAJ: Nonorthorhombic coordinate imaging test with familiar. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file image3.crd does not exist. ============================================================== CPPTRAJ: Nonorthorhombic coordinate imaging test with familiar and COM. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file image4.crd does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Surf CPPTRAJ: Surface calculation test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file surf.dat does not exist. ============================================================== CPPTRAJ: Partial Surface calculation test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file tsurf.dat does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: LCPO test with GAFF atom types. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file ral.surf.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Radgyr CPPTRAJ: Radius of gyration command test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file radgyr.dat does not exist. ============================================================== possible FAILURE: file radgyr.mass.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Mask Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Mask command test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file mask.out does not exist. ============================================================== possible FAILURE: file mask.pdb.1 does not exist. ============================================================== possible FAILURE: file mask.mol2.1 does not exist. ============================================================== CPPTRAJ: Mask longer command test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file M.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Jcoupling Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: J-Coupling command test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file Jcoupling.dat does not exist. ============================================================== CPPTRAJ: J-Coupling extended test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file jc.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Diffusion CPPTRAJ: Diffusion test, no imaging. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file noimage.dat does not exist. ============================================================== possible FAILURE: file noimage.agr does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Diffusion test, old syntax. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file diff_a.xmgr does not exist. ============================================================== possible FAILURE: file diff_r.xmgr does not exist. ============================================================== possible FAILURE: file diff_x.xmgr does not exist. ============================================================== possible FAILURE: file diff_y.xmgr does not exist. ============================================================== possible FAILURE: file diff_z.xmgr does not exist. ============================================================== CPPTRAJ: Diffusion test, new syntax. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file WAT_O.agr does not exist. ============================================================== possible FAILURE: file DC.dat does not exist. ============================================================== CPPTRAJ: Diffusion test, nonorthogonal box Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file Nonortho.dat does not exist. ============================================================== possible FAILURE: file Nonortho.agr does not exist. ============================================================== CPPTRAJ: STFC diffusion tests. This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Outtraj CPPTRAJ: RMSD Test with outtraj. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rmsd.dat does not exist. ============================================================== possible FAILURE: file T1.crd does not exist. ============================================================== possible FAILURE: file test.crd does not exist. ============================================================== CPPTRAJ: Outtraj Test with maxmin. This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Charmm Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: CHARMM PSF/DCD test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file test.ala3.pdb.1 does not exist. ============================================================== CPPTRAJ: CHARMM DCD Write, step 1. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 CPPTRAJ: CHARMM DCD Write, step 2. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file first.ala3.crd does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Rotdif CPPTRAJ: Rotdif test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rvecs.dat does not exist. ============================================================== possible FAILURE: file matrices.dat does not exist. ============================================================== possible FAILURE: file deffs.dat does not exist. ============================================================== possible FAILURE: file rotdif.out does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_NetcdfTraj This test requires compilation with Pnetcdf. Cpptraj was compiled without Pnetcdf support. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Runavg CPPTRAJ: Coordinate Running Average test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file R1.dat does not exist. ============================================================== CPPTRAJ: Coordinate Running Average Traj Write This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_RMSD CPPTRAJ: RMSD Tests. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rmsd.dat does not exist. ============================================================== possible FAILURE: file rmsd.mass.dat does not exist. ============================================================== possible FAILURE: file rmsd.reftraj.dat does not exist. ============================================================== possible FAILURE: file rmsd.refcoords.dat does not exist. ============================================================== CPPTRAJ: RMS coordinate rotation/rotation matrices test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file tz2.norotate.crd does not exist. ============================================================== possible FAILURE: file tz2.rotate.crd does not exist. ============================================================== possible FAILURE: file rmatrices.dat does not exist. ============================================================== CPPTRAJ: RMS fit with no coordinates modification test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file NoMod.dat does not exist. ============================================================== possible FAILURE: file NoMod.crd.save does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_2DRMS CPPTRAJ: 2D RMSD Test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rmsd2.dat does not exist. ============================================================== CPPTRAJ: 2D RMSD Test, mass-weighted. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rmsd.mass.dat does not exist. ============================================================== This test requires compilation with Pnetcdf. Cpptraj was compiled without Pnetcdf support. Skipping test. CPPTRAJ: 2D DME Test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file dme.dat does not exist. ============================================================== CPPTRAJ: 2D RMSD with reference mask test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file trp.dat does not exist. ============================================================== CPPTRAJ: 2D RMSD test, no fitting. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file nofit.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Mol2 CPPTRAJ: Mol2 tests. This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_NAstruct Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: NAstruct command test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file BP.adh026.dat does not exist. ============================================================== possible FAILURE: file BPstep.adh026.dat does not exist. ============================================================== possible FAILURE: file Helix.adh026.dat does not exist. ============================================================== possible FAILURE: file BP.baseref.dat does not exist. ============================================================== possible FAILURE: file BPstep.baseref.dat does not exist. ============================================================== possible FAILURE: file Helix.baseref.dat does not exist. ============================================================== possible FAILURE: file BPstep.groove.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Average CPPTRAJ: Average Test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file test.pdb does not exist. ============================================================== possible FAILURE: file test2.pdb does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Pucker Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Pucker command test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file pucker.dat does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: 5-member ring pucker, Cremer & Pople Furanoid test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file CremerF.dat does not exist. ============================================================== CPPTRAJ: 6-member ring pucker, Cremer & Pople Pyranoid test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file CremerP.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_AtomMap Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: AtomMap Test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file initial.mol2 does not exist. ============================================================== possible FAILURE: file atommap.dat does not exist. ============================================================== possible FAILURE: file reordered.pdb does not exist. ============================================================== possible FAILURE: file reordered.mol2 does not exist. ============================================================== possible FAILURE: file rmsd.dat does not exist. ============================================================== possible FAILURE: file fit.mol2 does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: AtomMap with 'rmsfit' Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rmsout.dat does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Atom map charmm->amber atom order Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file map.chm_to_amb.dat does not exist. ============================================================== CPPTRAJ: Atom map charmm->amber atom order, by residue Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file map.byres.chm_to_amb.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Datafile CPPTRAJ: Data file output precision test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file prec.dat does not exist. ============================================================== CPPTRAJ: Standard -> Grace Data Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 CPPTRAJ: Grace -> Standard Data Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file a1.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Radial CPPTRAJ: Radial Test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file Radial.agr does not exist. ============================================================== possible FAILURE: file cRadial.agr does not exist. ============================================================== possible FAILURE: file WatO-Trp4.agr does not exist. ============================================================== possible FAILURE: file WatO-Trp4.raw.agr does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Hist CPPTRAJ: Histogram Analysis Test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file hist.gnu does not exist. ============================================================== possible FAILURE: file hist.agr does not exist. ============================================================== possible FAILURE: file freeE.gnu does not exist. ============================================================== possible FAILURE: file norm.gnu does not exist. ============================================================== CPPTRAJ: 3D histogram test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file hist.dx does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Closest Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Closest command test using first solvent atom. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file first.Closest.pdb.1 does not exist. ============================================================== possible FAILURE: file closestmols.dat does not exist. ============================================================== possible FAILURE: file closest.tz2.truncoct.parm7 does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Closest command test using all solvent atoms. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file all.Closest.pdb.1 does not exist. ============================================================== CPPTRAJ: Closest command test, using mask center Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file closest10.center2_4.crd does not exist. ============================================================== possible FAILURE: file closest10.mols.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_DRMSD CPPTRAJ: Distance RMSD test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file drmsd.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Cluster CPPTRAJ: Cluster command test, in-memory pairwise distances. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file cnumvtime.dat does not exist. ============================================================== possible FAILURE: file avg.summary.dat does not exist. ============================================================== possible FAILURE: file summary.dat does not exist. ============================================================== possible FAILURE: file cpop.agr does not exist. ============================================================== CPPTRAJ: Cluster command test, read pairwise distances. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file summary2.dat does not exist. ============================================================== CPPTRAJ: Cluster command test, read NetCDF pairwise distances. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file summary3.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Cluster_Sieve CPPTRAJ: Cluster, nosieve Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file nosieve.info.dat does not exist. ============================================================== possible FAILURE: file nosieve.half.dat does not exist. ============================================================== possible FAILURE: file nosieve.sil.cluster.dat does not exist. ============================================================== CPPTRAJ: Cluster, sieve5 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file sieve5.info.dat does not exist. ============================================================== possible FAILURE: file sieve5.half.dat does not exist. ============================================================== possible FAILURE: file sieve5.sil.cluster.dat does not exist. ============================================================== CPPTRAJ: Cluster, nosieve savepairdist Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file nosieve.info.dat does not exist. ============================================================== possible FAILURE: file nosieve.half.dat does not exist. ============================================================== possible FAILURE: file nosieve.sil.cluster.dat does not exist. ============================================================== CPPTRAJ: Cluster, nosieve loadpairdist Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file nosieve.info.dat does not exist. ============================================================== possible FAILURE: file nosieve.half.dat does not exist. ============================================================== possible FAILURE: file nosieve.sil.cluster.dat does not exist. ============================================================== CPPTRAJ: Cluster, sieve5 savepairdist Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file sieve5.info.dat does not exist. ============================================================== possible FAILURE: file sieve5.half.dat does not exist. ============================================================== possible FAILURE: file sieve5.sil.cluster.dat does not exist. ============================================================== CPPTRAJ: Cluster, sieve5 loadpairdist Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file sieve5.info.dat does not exist. ============================================================== possible FAILURE: file sieve5.half.dat does not exist. ============================================================== possible FAILURE: file sieve5.sil.cluster.dat does not exist. ============================================================== CPPTRAJ: Cluster, nosieve pairwisecache none Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file nosieve.info.dat does not exist. ============================================================== possible FAILURE: file nosieve.half.dat does not exist. ============================================================== possible FAILURE: file nosieve.sil.cluster.dat does not exist. ============================================================== CPPTRAJ: Cluster, sieve5 pairwisecache none Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file sieve5.info.dat does not exist. ============================================================== possible FAILURE: file sieve5.half.dat does not exist. ============================================================== possible FAILURE: file sieve5.sil.cluster.dat does not exist. ============================================================== CPPTRAJ: Cluster, random Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file random.info.dat does not exist. ============================================================== possible FAILURE: file random.half.dat does not exist. ============================================================== possible FAILURE: file random.sil.cluster.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Cluster_RandomSieve CPPTRAJ: Cluster test with random sieve (Save Pairwise Distances). Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file random.info.dat does not exist. ============================================================== possible FAILURE: file random.summary.dat does not exist. ============================================================== CPPTRAJ: Cluster test with random sieve (Load Pairwise Distances). Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file random.info.dat does not exist. ============================================================== possible FAILURE: file random.summary.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Cluster_DataSet CPPTRAJ: Clustering, One DataSet Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file oneds.info.dat does not exist. ============================================================== possible FAILURE: file eps_v_n.dat does not exist. ============================================================== possible FAILURE: file cvt.dat does not exist. ============================================================== CPPTRAJ: Clustering, Two DataSets Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file twods.info.dat does not exist. ============================================================== CPPTRAJ: Clustering, dihedral DataSet Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file onedihds.info.dat does not exist. ============================================================== CPPTRAJ: Clustering, two dihedral DataSets Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file twodihds.info.dat does not exist. ============================================================== CPPTRAJ: Clustering, dihedral DataSet, K-means Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file onedihds.kmeans.info.dat does not exist. ============================================================== CPPTRAJ: Clustering, two dihedral DataSets, K-means Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file twodihds.kmeans.info.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Cluster_DBSCAN CPPTRAJ: DBSCAN test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rvc.dat does not exist. ============================================================== CPPTRAJ: DBSCAN automatic parameter determination test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file Kdist.4.dat does not exist. ============================================================== CPPTRAJ: DBSCAN kdist map test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file Kmatrix.gnu does not exist. ============================================================== CPPTRAJ: DBSCAN with sieve Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file sieveinfo.dat.2 does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Cluster_Kmeans CPPTRAJ: Cpptraj Kmeans Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file summary.dat does not exist. ============================================================== possible FAILURE: file info.dat does not exist. ============================================================== possible FAILURE: file cpptraj.crd.c0 does not exist. ============================================================== CPPTRAJ: Cpptraj Kmeans random Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file random.dat does not exist. ============================================================== possible FAILURE: file rinfo.dat does not exist. ============================================================== possible FAILURE: file random.crd.c0 does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Cluster_SymmRMSD CPPTRAJ: Clustering with symmetry-corrected RMSD metric (also 2D SRMSD) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rms.summary.dat does not exist. ============================================================== possible FAILURE: file rms.info.dat does not exist. ============================================================== possible FAILURE: file srmsd.summary.dat does not exist. ============================================================== possible FAILURE: file srmsd.info.dat does not exist. ============================================================== possible FAILURE: file 2drms.gnu does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Cluster_TrajWrites CPPTRAJ: Cluster command test, coordinate writes. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 CPPTRAJ: Cluster command test, coordinate writes using info file. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file clusterinfo.txt does not exist. ============================================================== possible FAILURE: file cluster.c0 does not exist. ============================================================== possible FAILURE: file rep.c8.1.crd does not exist. ============================================================== possible FAILURE: file single does not exist. ============================================================== possible FAILURE: file avg.summary.dat does not exist. ============================================================== possible FAILURE: file lifetime.dat does not exist. ============================================================== possible FAILURE: file Avg.c0.rst7 does not exist. ============================================================== possible FAILURE: file fromInfo.c0 does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_IRED CPPTRAJ: IRED vector/matrix test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file ired.vec does not exist. ============================================================== possible FAILURE: file v0.cmt does not exist. ============================================================== possible FAILURE: file plateau.norm.dat does not exist. ============================================================== possible FAILURE: file v0.cjt does not exist. ============================================================== possible FAILURE: file orderparam does not exist. ============================================================== possible FAILURE: file matrix_ds2.dat does not exist. ============================================================== possible FAILURE: file noe does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_RandomizeIons Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: randomizeions test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file random.crd does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Molsurf CPPTRAJ: Molsurf test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file msurf.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Corr CPPTRAJ: Correlation Test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file corr.dat does not exist. ============================================================== possible FAILURE: file cross.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_CheckStructure Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Structure Check Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file report.dat does not exist. ============================================================== possible FAILURE: file nprob.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_RmsAvgCorr CPPTRAJ: RmsAvgCorr Reference Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rmscorr.dat does not exist. ============================================================== possible FAILURE: file rmscorr.10.dat does not exist. ============================================================== CPPTRAJ: RmsAvgCorr First Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rmscorr.first.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Contacts CPPTRAJ: Contacts test. This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Principal CPPTRAJ: Principal Test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file Ctest.crd does not exist. ============================================================== possible FAILURE: file eigen.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_ClusterDihedral CPPTRAJ: clusterdihedral test This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Vector CPPTRAJ: Vector Tests Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file vtest.dat.0 does not exist. ============================================================== possible FAILURE: file vtest.dat.1 does not exist. ============================================================== possible FAILURE: file vtest.dat.2 does not exist. ============================================================== possible FAILURE: file vtest.dat.3 does not exist. ============================================================== possible FAILURE: file vtest.dat.4 does not exist. ============================================================== possible FAILURE: file vtest.dat.5 does not exist. ============================================================== possible FAILURE: file vtest.dat.6 does not exist. ============================================================== possible FAILURE: file vtest.dat.7 does not exist. ============================================================== possible FAILURE: file v8.mol2 does not exist. ============================================================== CPPTRAJ: AvgCoord test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file avgcoord.out does not exist. ============================================================== possible FAILURE: file res5.out does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Matrix CPPTRAJ: Matrix Tests. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file mtest.0.dat does not exist. ============================================================== possible FAILURE: file mtest.1.dat does not exist. ============================================================== possible FAILURE: file mtest.2.dat does not exist. ============================================================== possible FAILURE: file mtest.3.dat does not exist. ============================================================== possible FAILURE: file mtest.4.dat does not exist. ============================================================== possible FAILURE: file mtest.5.dat does not exist. ============================================================== possible FAILURE: file mtest.6.dat does not exist. ============================================================== possible FAILURE: file mtest.7.dat does not exist. ============================================================== possible FAILURE: file mtest.8.dat does not exist. ============================================================== possible FAILURE: file mtest.9.dat does not exist. ============================================================== possible FAILURE: file mtest.10.dat does not exist. ============================================================== possible FAILURE: file mtest.11.dat does not exist. ============================================================== possible FAILURE: file mtest.12.dat does not exist. ============================================================== possible FAILURE: file mtest.13.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_AtomicFluct CPPTRAJ: Atomic fluctuations test [@C,CA,N byres bfactor]. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file fluct.1.dat does not exist. ============================================================== CPPTRAJ: Atomic fluctuations test [:2-12 byatom]. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file fluct.2.dat does not exist. ============================================================== CPPTRAJ: Atomic fluctuations test [bymask :3,4,5]. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file fluct.3.dat does not exist. ============================================================== CPPTRAJ: Atomic fluctuations test [start 10 stop 30 offset 2 byres bfactor]. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file fluct.4.dat does not exist. ============================================================== CPPTRAJ: Atomicfluct test with ADP output Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file dpdp.fluct.dat does not exist. ============================================================== possible FAILURE: file dpdp.adp.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Grid CPPTRAJ: Dipole test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file out.dipole does not exist. ============================================================== CPPTRAJ: Grid test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file out.xplor does not exist. ============================================================== possible FAILURE: file out.dx does not exist. ============================================================== CPPTRAJ: OpenDX Grid read test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file out.dx.2 does not exist. ============================================================== CPPTRAJ: Grid with specified center test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file test.dx does not exist. ============================================================== CPPTRAJ: Grid with box center offset test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file box.dx does not exist. ============================================================== CPPTRAJ: Grid with mask center offset test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file mask.dx does not exist. ============================================================== CPPTRAJ: Non-orthogonal grid test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file nonortho.dx does not exist. ============================================================== CPPTRAJ: Non-orthogonal grid centered on bin center and wrapped test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file nonortho_wrap.dx does not exist. ============================================================== CPPTRAJ: Grid generation from 'bounds' test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file bounds.dat does not exist. ============================================================== possible FAILURE: file bounds.xplor does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Unwrap CPPTRAJ: Unwrap tests. This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Project CPPTRAJ: Projection Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file project.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Analyze_Modes CPPTRAJ: Modes analysis, RMS fluctuations Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file fluct.dat does not exist. ============================================================== CPPTRAJ: Modes analysis, displacements Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file displ.dat does not exist. ============================================================== CPPTRAJ: Modes analysis, dipole correlation Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file corr.dat does not exist. ============================================================== CPPTRAJ: Modes analysis, pseudo trajectory creation test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file modestest.2.crd does not exist. ============================================================== CPPTRAJ: Modes analysis, RMSIP and eigenvalue fraction test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rmsip.dat does not exist. ============================================================== possible FAILURE: file eigenval.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Watershell CPPTRAJ: Watershell Test, non-orthorhombic imaging. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file ws.agr does not exist. ============================================================== CPPTRAJ: Watershell Test, orthorhombic imaging. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file ws.ortho.agr does not exist. ============================================================== CPPTRAJ: Watershell Test, no imaging. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file ws.noimage.agr does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_AnalysisRunAvg CPPTRAJ: Analysis Running Average Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file running_avg.dat does not exist. ============================================================== possible FAILURE: file cumulative_avg.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Volmap CPPTRAJ: VMD VolMap Algorithm test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file volmap.dx does not exist. ============================================================== possible FAILURE: file volmap2.dx does not exist. ============================================================== possible FAILURE: file peaks.xyz does not exist. ============================================================== possible FAILURE: file volmap3.dx does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_SPAM CPPTRAJ: SPAM Test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file summary.dat does not exist. ============================================================== possible FAILURE: file spam.info does not exist. ============================================================== possible FAILURE: file spam.dat does not exist. ============================================================== CPPTRAJ: SPAM Pure Solvent Test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file spampure.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_LIE CPPTRAJ: LIE test, TCL Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file TCL.out does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Density CPPTRAJ: Density test. This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_LipidOrder CPPTRAJ: Lipid Order Parameter Test. This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_PairDist CPPTRAJ: PairDist Test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file Pr.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_GIST CPPTRAJ: GIST test. This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_GIST_Order CPPTRAJ: GIST tetrahedral water cluster test. This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_AmbPDB AMBPDB: AmbPDB tests. diffing out.pdb.save with out.pdb PASSED ============================================================== diffing out.pdb.save with out1.pdb PASSED ============================================================== diffing fabi.pdb.save with fabi.pdb PASSED ============================================================== diffing ../Test_Mol2/test2.mol2.save with out.mol2 PASSED ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_systemVF This test requires compilation with Pnetcdf. Cpptraj was compiled without Pnetcdf support. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_AtomicCorr CPPTRAJ: Atomic Correlation test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file acorr.gnu does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_AutoCorr CPPTRAJ: AutoCorr test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file ac.agr does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Box Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Box Test (Add box info) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file addbox.rst7.1 does not exist. ============================================================== possible FAILURE: file addbox.rst7.10 does not exist. ============================================================== CPPTRAJ: Box test (Modify box length) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file modX.rst7.1 does not exist. ============================================================== possible FAILURE: file modX.rst7.10 does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_AtomTypeSelect CPPTRAJ: Selection by atom type test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rmsd.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_AvgRef CPPTRAJ: Parallel, average reference coordinates. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 CPPTRAJ: Parallel, RMSD Test with averaged reference coordinates. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rmsavg.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Crank_Stat CPPTRAJ: Crankshaft test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file crank.dat does not exist. ============================================================== possible FAILURE: file results.dat does not exist. ============================================================== possible FAILURE: file stat.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_CreateCrd CPPTRAJ: COORDS data set creation and CRDFLUCT test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file crd1.dat does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: COORDS data set creation with velocities test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file crd0.rst7 does not exist. ============================================================== possible FAILURE: file crd1.rst7 does not exist. ============================================================== CPPTRAJ: TRAJ data set creation and CRDFLUCT test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file crd1.dat does not exist. ============================================================== CPPTRAJ: TRAJ data set creation with velocities test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file crd2.rst7 does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_AutoImage Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: AutoImage test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file reimage.mdcrd does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: AutoImage test, use anchor mask Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file image.G3_3A.rst7 does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_LoadCrd CPPTRAJ: LoadCrd test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file d1-10.dat does not exist. ============================================================== CPPTRAJ: LoadTraj test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file d1-10.dat does not exist. ============================================================== CPPTRAJ: LoadTraj from trajin test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file d1-10.dat does not exist. ============================================================== CPPTRAJ: LoadCrd append from multiple files test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file d1-12.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_MultiVector CPPTRAJ: Multivector test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file NH.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Lifetime CPPTRAJ: Lifetime test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file avg.life.5.gnu does not exist. ============================================================== possible FAILURE: file max.life.5.gnu does not exist. ============================================================== possible FAILURE: file life.5.gnu does not exist. ============================================================== possible FAILURE: file crv.life.5.gnu does not exist. ============================================================== possible FAILURE: file solutehb.gnu does not exist. ============================================================== CPPTRAJ: Lifetime average and cumulative average test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file perres.avg.gnu does not exist. ============================================================== possible FAILURE: file perres.cumulative.gnu does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_FFT CPPTRAJ: FFT test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file fft.agr does not exist. ============================================================== possible FAILURE: file fft1.agr does not exist. ============================================================== possible FAILURE: file fft2.agr does not exist. ============================================================== possible FAILURE: file fft3.agr does not exist. ============================================================== possible FAILURE: file fft4.agr does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Timecorr CPPTRAJ: Timecorr test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file v1.auto.dat does not exist. ============================================================== possible FAILURE: file v1v2.cross.dat does not exist. ============================================================== possible FAILURE: file v1.dplr.auto.dat does not exist. ============================================================== possible FAILURE: file v1v2.dplr.cross.dat does not exist. ============================================================== possible FAILURE: file v1.o0.auto.dat does not exist. ============================================================== possible FAILURE: file v1.o1.auto.dat does not exist. ============================================================== possible FAILURE: file tz2.2.3.cross.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_CrossCorr CPPTRAJ: CrossCorr test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file cc.gnu does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_SymmRmsd Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: SymmRmsd Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rmsd.dat does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: ASP symmetry-corrected rmsd test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file ASP.rmsd.dat does not exist. ============================================================== possible FAILURE: file ASP.remap.crd does not exist. ============================================================== CPPTRAJ: GLU symmetry-corrected rmsd test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file GLU.rmsd.dat does not exist. ============================================================== possible FAILURE: file GLU.remap.crd does not exist. ============================================================== CPPTRAJ: TYR symmetry-corrected rmsd test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file TYR.rmsd.dat does not exist. ============================================================== possible FAILURE: file TYR.remap.crd does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Multidihedral CPPTRAJ: MultiDihedral Test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file dihedral.dat does not exist. ============================================================== possible FAILURE: file dihedral2.dat does not exist. ============================================================== possible FAILURE: file all.dat does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Multidihedral Nucleotide CHI test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file chin.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Ensemble_MREMD Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) (standard_in) 1: parse error CPPTRAJ: M-REMD ensemble tests Warning: Test requires a multiple of 8 parallel threads. Skipping. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_MakeStructure Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Makestructure test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file pp2.rst7 does not exist. ============================================================== possible FAILURE: file dihedrals.dat does not exist. ============================================================== possible FAILURE: file dihedrals2.dat does not exist. ============================================================== possible FAILURE: file dihedrals3.dat does not exist. ============================================================== CPPTRAJ: Makestructure test with reference. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file fromref.pdb.1 does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Rotate CPPTRAJ: Rotation (and inverse) of coords from matrices Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file fromMatrices.crd does not exist. ============================================================== possible FAILURE: file inverse.crd does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Rotate with defined axis. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file TCS.rotated.mol2 does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Integrate CPPTRAJ: Integration test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file curve.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_NativeContacts CPPTRAJ: NativeContacts test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file nc.hp1.ca.dat does not exist. ============================================================== possible FAILURE: file nc1.pdb does not exist. ============================================================== possible FAILURE: file nc.hp2.ca.dat does not exist. ============================================================== possible FAILURE: file nc2.contacts.dat does not exist. ============================================================== possible FAILURE: file nc2.res.dat does not exist. ============================================================== possible FAILURE: file NC2.series.dat does not exist. ============================================================== possible FAILURE: file nc.all.res.dat does not exist. ============================================================== possible FAILURE: file native.resmap.gnu does not exist. ============================================================== possible FAILURE: file nonnative.resmap.gnu does not exist. ============================================================== CPPTRAJ: NativeContacts test, save non-native contacts, residue time series This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_CheckChiral CPPTRAJ: Check chirality test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file chiral.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Energy CPPTRAJ: Simple Energy test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file ene.agr does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_LESsplit Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: LES split test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file splittraj.0 does not exist. ============================================================== possible FAILURE: file avg.crd does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_PermuteDihedrals Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: PermuteDihedrals interval -120, phi psi Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rotations.mdcrd does not exist. ============================================================== CPPTRAJ: PermuteDihedrals, random rotations Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file random.mol2.1 does not exist. ============================================================== possible FAILURE: file RAND.mol2 does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_CCP4 CPPTRAJ: CCP4 read/write and DX conversion test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file fav8.dx does not exist. ============================================================== possible FAILURE: file fav8.ccp4 does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_DihCovar CPPTRAJ: Dihedral Covariance Matrix Test (parallel, create matrix) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 CPPTRAJ: Dihedral Covariance Matrix Test (parallel, projection) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file dihcovar.dat does not exist. ============================================================== possible FAILURE: file modes.dihcovar.dat does not exist. ============================================================== possible FAILURE: file dih.project.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_CurveFit CPPTRAJ: Curve fitting test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file curve.dat does not exist. ============================================================== CPPTRAJ: Curve fitting multi-exponential tests. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file curve1.dat does not exist. ============================================================== possible FAILURE: file Kcurve.dat does not exist. ============================================================== possible FAILURE: file PKcurve.dat does not exist. ============================================================== possible FAILURE: file Results.dat does not exist. ============================================================== CPPTRAJ: Curve fitting, custom output range. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file curve2.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Multicurve CPPTRAJ: Multicurve test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file curves.agr does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_DataSetAverage CPPTRAJ: Data set averaging and averaging over all sets test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file output.dat does not exist. ============================================================== possible FAILURE: file avg.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_VectorMath CPPTRAJ: Vector dot/cross product test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file dotproduct.dat does not exist. ============================================================== possible FAILURE: file v1init_dot_v1.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Esander SANDER energy tests requires compilation with the Sander API from AmberTools. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Temperature CPPTRAJ: Temperature test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file T.dat does not exist. ============================================================== CPPTRAJ: Temperature with SHAKE on hydrogens. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file T2.dat does not exist. ============================================================== CPPTRAJ: Temperature with SHAKE on all atoms. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file T3.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Spline CPPTRAJ: Spline test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file spline.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_KDE CPPTRAJ: KDE test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file kde.dat does not exist. ============================================================== CPPTRAJ: KDE with Kullback-Leibler divergence test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file kl.dat does not exist. ============================================================== possible FAILURE: file final.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Wavelet CPPTRAJ: Wavelet analysis test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file wavelet.gnu does not exist. ============================================================== CPPTRAJ: Wavelet WAFEX test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file cluster.gnu does not exist. ============================================================== possible FAILURE: file cluster.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_CIF CPPTRAJ: CIF read test. This test cannot be run in parallel. Skipping test. CPPTRAJ: Generate offset traj from PDB Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 CPPTRAJ: Generate offset traj from CIF Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file temp1.crd does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_PDB Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: PDB format read/write test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file test.pdb does not exist. ============================================================== CPPTRAJ: PQR file write with various radii This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Align CPPTRAJ: Align Tests. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file rmsd.dat does not exist. ============================================================== possible FAILURE: file rmsd.mass.dat does not exist. ============================================================== possible FAILURE: file rmsd.reftraj.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_VelocityAutoCorr CPPTRAJ: Velocity autocorrelation test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file VAC.agr does not exist. ============================================================== possible FAILURE: file diff.dat does not exist. ============================================================== possible FAILURE: file VAC2.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_VelFrc CPPTRAJ: Separate velocity/force This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_RotateDihedral CPPTRAJ: Rotate dihedral to target value. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file tz2.rotate.1.mol2 does not exist. ============================================================== CPPTRAJ: Rotate dihedral by increment Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file tz2.rotate.2.mol2 does not exist. ============================================================== CPPTRAJ: Rotate dihedral in TRAJ data set Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file tz2.rotate.3.mol2 does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_DataSetCmd CPPTRAJ: Data Set commands test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file avg.dat does not exist. ============================================================== possible FAILURE: file matrix.dat does not exist. ============================================================== possible FAILURE: file matrix2.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Remap Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Remap Test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file reordered.mol2 does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_CompareTop CPPTRAJ: Compare topology test. This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Filter CPPTRAJ: Filter test. This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_CombineCrd CPPTRAJ: Combine COORDS tests. This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_TopInfo CPPTRAJ: Topology info print test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file atoms.dat does not exist. ============================================================== possible FAILURE: file residues.dat does not exist. ============================================================== possible FAILURE: file bonds.dat does not exist. ============================================================== possible FAILURE: file angles.dat does not exist. ============================================================== possible FAILURE: file dihedrals.dat does not exist. ============================================================== possible FAILURE: file masscharge.dat does not exist. ============================================================== possible FAILURE: file molecules.dat does not exist. ============================================================== possible FAILURE: file values.dat does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_GromacsTrr Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) TRR force/velocity read/write test requires parallel NetCDF, skipping. CPPTRAJ: CRD => TRR Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 CPPTRAJ: TRR => CRD Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file temp.crd does not exist. ============================================================== CPPTRAJ: GMX TRR append This test cannot be run in parallel. Skipping test. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: GMX: CRD with offset Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 CPPTRAJ: GMX: TRR with offset Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file total1.out does not exist. ============================================================== ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_GromacsXtc Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) XTC read/write test requires parallel NetCDF, skipping. CPPTRAJ: XTC write test This test cannot be run in parallel. Skipping test. CPPTRAJ: GMX XTC append This test cannot be run in parallel. Skipping test. CPPTRAJ: GMX XTC offset test This test cannot be run in parallel. Skipping test. ************************************************************** TEST: /Applications/Amber17/amber16/AmberTools/src/cpptraj/test/Test_Ewald Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Direct sum test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file directsum.0 does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Ewald test (NaCl crystal) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file ewald.dat does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Ewald test (trunc. oct) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file ew_tz2.dat does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Ewald test (trunc. oct), 10 frames Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file ew_tz2_10.dat does not exist. ============================================================== Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) CPPTRAJ: Ewald test (Ortho), 10 frames Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Error: cpptraj exited with status 15 possible FAILURE: file tz2_ortho.dat does not exist. ============================================================== ===================== TEST SUMMARY ====================== 0 out of 101 comparisons OK (101 failed, 0 warnings). 0 out of 0 tests completed with no issues. ========================================================= make[4]: *** [summary] Error 101 make[3]: *** [test.all] Error 2 make[3]: Target `test' not remade because of errors. make[2]: *** [test.cpptraj] Error 2 cd mmpbsa_py && /Applications/Xcode.app/Contents/Developer/usr/bin/make test cd 07_Comprehensive && ./Run.comprehensive Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.comprehensive: line 20: [: -gt: unary operator expected ./Run.comprehensive: Program error make[3]: [COMPREHENSIVE] Error 1 (ignored) cd rism3d.periodic/PH4+ && ./Run.PH4+.kh.pme Running mpirun -np 2 /Applications/Amber17/amber16/bin/rism3d.snglpnt.MPI /Applications/Amber17/amber16/bin/rism3d.snglpnt.MPI not found... skipping test cd rism3d.periodic/imidazoleH+ && ./Run.imidazoleH+.kh.pme Running mpirun -np 2 /Applications/Amber17/amber16/bin/rism3d.snglpnt.MPI /Applications/Amber17/amber16/bin/rism3d.snglpnt.MPI not found... skipping test cd rism3d.periodic/PH4+_triclinic && ./Run.PH4+_triclinic.kh.pme Running mpirun -np 2 /Applications/Amber17/amber16/bin/rism3d.snglpnt.MPI /Applications/Amber17/amber16/bin/rism3d.snglpnt.MPI not found... skipping test cd rism3d.periodic/4lzta && ./Run.4lzta_5.kh.pme Running mpirun -np 2 /Applications/Amber17/amber16/bin/rism3d.snglpnt.MPI /Applications/Amber17/amber16/bin/rism3d.snglpnt.MPI not found... skipping test cd rism3d.periodic/2igd && ./Run.2igd.kh.pme Running mpirun -np 2 /Applications/Amber17/amber16/bin/rism3d.snglpnt.MPI /Applications/Amber17/amber16/bin/rism3d.snglpnt.MPI not found... skipping test cd rism3d.periodic/1d23 && ./Run.1d23.kh.pme Running mpirun -np 2 /Applications/Amber17/amber16/bin/rism3d.snglpnt.MPI /Applications/Amber17/amber16/bin/rism3d.snglpnt.MPI not found... skipping test make[2]: Target `test.parallel2' not remade because of errors. export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; /Applications/Xcode.app/Contents/Developer/usr/bin/make -k test.sander.BASIC cd cytosine && ./Run.cytosine Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.cytosine: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd nonper && ./Run.nonper Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nonper: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd nonper && ./Run.egb6 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.egb6: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd nonper && ./Run.nonper.belly Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nonper.belly: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd nonper && ./Run.nonper.belly.mask Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd nonper && ./Run.nonper.min Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nonper.min: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd nonper && ./Run.cap Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.cap: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd nonper && ./Run.nonper.nocut Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nonper.nocut: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd tip4p && ./Run.tip4p Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tip4p: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd tip4p && ./Run.tip4p_mcbar Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tip4p_mcbar: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd tip4p && ./Run.tip4p_nve Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tip4p_nve: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd tip5p && ./Run.tip5p Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tip5p: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd tip5p && ./Run.tip5p_nve Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tip5p_nve: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd 4096wat && ./Run.pure_wat Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.pure_wat: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd 4096wat && ./Run.pure_wat_fswitch Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.pure_wat_fswitch: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd 4096wat && ./Run.pure_wat_nmr_temp_reg Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.pure_wat_nmr_temp_reg: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd 4096wat && ./Run.vrand Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.vrand: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd 4096wat && ./Run.frcdmp Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.frcdmp: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd 4096wat_oct && ./Run.pure_wat_oct Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.pure_wat_oct: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd dhfr && ./Run.dhfr && ./Run.dhfr prmtop_an Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dhfr: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd dhfr && ./Run.dhfr.noboxinfo possible FAILURE: file mdout.dhfr.noboxinfo does not exist. ============================================================== cd dhfr && ./Run.dhfr.noshake Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dhfr.noshake: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd dhfr && ./Run.dhfr.min Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dhfr.min: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd dhfr && ./Run.dhfr.min_prcg Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dhfr.min_prcg: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd dhfr && ./Run.dhfr.xmin Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dhfr.xmin: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd ff14ipq && ./Run.ff14ipq Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ff14ipq: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd variable_14 && ./Run.variable_14_ntb1 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.variable_14_ntb1: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd gact_ips && ./Run.ips Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ips: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd gact_ips && ./Run.ipsnve Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ipsnve: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd gact_ips && ./Run.ips_dfft Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ips_dfft: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd gact_ips && ./Run.ips_vacuum Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ips_vacuum: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd polarizable_water && ./Run.pol_wat Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.pol_wat: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd ubiquitin && ./Run.ubiquitin Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ubiquitin: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd dna_pol && ./Run.dna_pol Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dna_pol: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd trx && ./Run.trx Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.trx: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd trx && ./Run.trx.cpln Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.trx.cpln: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd rdc && ./Run.dip Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dip: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd rdc && ./Run.csa Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.csa: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd rdc && ./Run.csa_min Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.csa_min: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd rdc && ./Run.nmr Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmr: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd pcsa && ./Run.dip Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dip: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd pcsa && ./Run.csa Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.csa: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd pcsa && ./Run.csa2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.csa2: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd pcsa && ./Run.csa_min Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.csa_min: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd tgtmd/change_target && ./Run.tgtmd SANDER: Targeted MD with changing target Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tgtmd: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd tgtmd/change_target.rms && ./Run.tgtmd SANDER: Targeted MD with changing target and fit/rmsd to different regions Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tgtmd: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd tgtmd/change_target.ntr && ./Run.tgtmd SANDER: Targeted MD with changing target and restraints Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tgtmd: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd tgtmd/conserve_ene && ./Run.tgtmd SANDER: Targeted MD energy conservation test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tgtmd: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd tgtmd/minimize && ./Run.tgtmin SANDER: Targeted minimization Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tgtmin: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd tgtmd/PME && ./Run.tgtPME SANDER: Targeted MD with PME Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tgtPME: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd mtmdtest && ./Run.mtmdtest SANDER: Multiply-targeted MD, new to AMBER 11 Tested on an RNA duplex. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.mtmdtest: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd trajene && ./Run.trajene Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.trajene: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd trajene_box && ./Run.trajene DO_PARALLEL set to mpirun -np 2 This test cannot be run with more than 1 processor, exiting. ============================================================ cd trajene_netcdf && ./Run.trajene /Applications/Amber17/amber16/include/netcdf.mod Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.trajene: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd alp && ./Run.alp Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.alp: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd umbrella && ./Run.umbrella Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.umbrella: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd noesy && ./Run.noesy Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.noesy: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd jar && ./Run.jarz Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.jarz: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd plane_plane_restraint && ./Run.dinuc_plpt SANDER: Dinucleoside restrained with new plane-point angle restraint that was defined with new natural language restraint input. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dinuc_plpt: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd plane_plane_restraint && ./Run.dinuc_pln SANDER: Dinucleoside restrained with new plane-plane angle restraint that was defined with new natural language restraint input. Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dinuc_pln: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd iwrap2 && ./Run.iwrap2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.iwrap2: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd idecomp1 && ./run_idecomp1.sh Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./run_idecomp1.sh: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd idecomp4 && ./run_idecomp4.sh Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./run_idecomp4.sh: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd bintraj && ./Run.bintraj /Applications/Amber17/amber16/include/netcdf.mod Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.bintraj: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd netcdf && /Applications/Xcode.app/Contents/Developer/usr/bin/make -k test OPT=/Applications/Amber17/amber16/include/netcdf.mod Netcdf MD Restart Write Test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./runmd.sh: Program error make[4]: [mdrstwrite] Error 1 (ignored) Netcdf Minimization Restart Write Test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./runmin.sh: Program error make[4]: [minrstwrite] Error 1 (ignored) Restrained MD with netcdf Restart Reference Coords Test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./runmd.sh: Program error make[4]: [ncrefmd] Error 1 (ignored) Netcdf MD restart read test, ntx=5 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./runmd.sh: Program error make[4]: [ntx5] Error 1 (ignored) Netcdf MD restart read test, ntx=1 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./runmd.sh: Program error make[4]: [ntx1] Error 1 (ignored) cd csurften && ./Run.csurften_z-dir Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.csurften_z-dir: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd csurften && ./Run.csurften_z-dir_npt_3 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.csurften_z-dir_npt_3: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) cd linear_interaction_energy && ./Run.lie This test not set up for parallel cannot run in parallel with #residues < #pes ============================================================== cd nmropt && /Applications/Xcode.app/Contents/Developer/usr/bin/make all cd gb/angle && ./Run.nmropt_1angle_gb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmropt_1angle_gb: Program error make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/distance && ./Run.dist_gb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dist_gb: Program error make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/distance_COM && ./Run.distCOM_gb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.distCOM_gb: Program error make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/jar_distance && ./Run.jar_gb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.jar_gb: Program error make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/jar_distance_COM && ./Run.jar_gb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.jar_gb: Program error make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/jar_torsion && ./Run.jar_torsion Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.jar_torsion: Program error make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/nmropt_1_torsion && ./Run.nmropt_1_torsion Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmropt_1_torsion: Program error make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/tautp && ./Run.nmropt_1tautp_gb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmropt_1tautp_gb: Program error make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/temp && ./Run.nmropt_1temp_gb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmropt_1temp_gb: Program error make[4]: [pmemd_compat_gb] Error 1 (ignored) cd pme/angle && ./Run.nmropt_1angle_pbc Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmropt_1angle_pbc: Program error make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/distance && ./Run.dist_pbc Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dist_pbc: Program error make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/distance_COM && ./Run.distCOM_pbc Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.distCOM_pbc: Program error make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/jar_torsion && ./Run.jar_torsion Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.jar_torsion: Program error make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/jar_distance && ./Run.jar_pbc Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.jar_pbc: Program error make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/jar_distance_COM && ./Run.jar_pbc Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.jar_pbc: Program error make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/nmropt_1_torsion && ./Run.nmropt_1_torsion Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmropt_1_torsion: Program error make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/tautp && ./Run.nmropt_1tautp_pbc Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmropt_1tautp_pbc: Program error make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/temp && ./Run.nmropt_1temp_pbc Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmropt_1temp_pbc: Program error make[4]: [pmemd_compat_pme] Error 1 (ignored) cd gb/2xangle && ./Run.nmropt_1_2xangle_gb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmropt_1_2xangle_gb: Program error make[4]: [pmemd_incompat_gb] Error 1 (ignored) cd gb/jar_comtorsion && ./Run.jar_comtorsion Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.jar_comtorsion: Program error make[4]: [pmemd_incompat_gb] Error 1 (ignored) cd gb/jar_lcod && ./Run.lcod_jar Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.lcod_jar: Program error make[4]: [pmemd_incompat_gb] Error 1 (ignored) cd gb/jar_lcod_dist && ./Run.jar_lcod Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.jar_lcod: Program error make[4]: [pmemd_incompat_gb] Error 1 (ignored) cd gb/lcod && ./Run.lcod Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.lcod: Program error make[4]: [pmemd_incompat_gb] Error 1 (ignored) cd gb/lcod_com && ./Run.lcod_com Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.lcod_com: Program error make[4]: [pmemd_incompat_gb] Error 1 (ignored) cd gb/nmropt_1_2xtorsion && ./Run.nmropt_1_2xtorsion Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmropt_1_2xtorsion: Program error make[4]: [pmemd_incompat_gb] Error 1 (ignored) cd pme/2xangle && ./Run.nmropt_1_2xangle_pbc Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmropt_1_2xangle_pbc: Program error make[4]: [pmemd_incompat_pme] Error 1 (ignored) cd pme/jar_comtorsion && ./Run.jar_comtorsion Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.jar_comtorsion: Program error make[4]: [pmemd_incompat_pme] Error 1 (ignored) cd pme/jar_lcod && ./Run.jar_lcod Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.jar_lcod: Program error make[4]: [pmemd_incompat_pme] Error 1 (ignored) cd pme/jar_lcod_dist && ./Run.lcod_dist Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.lcod_dist: Program error make[4]: [pmemd_incompat_pme] Error 1 (ignored) cd pme/lcod && ./Run.lcod_pme Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.lcod_pme: Program error make[4]: [pmemd_incompat_pme] Error 1 (ignored) cd pme/lcod_com && ./Run.lcod_com Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.lcod_com: Program error make[4]: [pmemd_incompat_pme] Error 1 (ignored) cd pme/nmropt_1_2xtorsion && ./Run.nmropt_1_2xtorsion Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmropt_1_2xtorsion: Program error make[4]: [pmemd_incompat_pme] Error 1 (ignored) cd lj_12-6-4 && ./Run.12-6-4 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.12-6-4: Program error make[3]: [test.sander.BASIC] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd 4096wat && ./Run.column_fft Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.column_fft: Program error make[2]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd jar_multi && ./Run.jarz Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.jarz: Program error make[2]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd ti_eth2meth_gas && ./Run.test1 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.test1: Program error make[2]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd ti_eth2meth_gas && ./Run.test2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.test2: Program error make[2]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd ti_ggcc && ./Run.test1 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.test1: Program error make[2]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd ti_ggcc && ./Run.test2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.test2: Program error make[2]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; /Applications/Xcode.app/Contents/Developer/usr/bin/make -k test.sander.GB cd gb_rna && ./Run.gbrna Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gbrna: Program error make[3]: [test.sander.GB] Error 1 (ignored) cd gb_rna && ./Run.gbrna.min Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gbrna.min: Program error make[3]: [test.sander.GB] Error 1 (ignored) cd gb_rna && ./Run.gbrna.ln Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gbrna.ln: Program error make[3]: [test.sander.GB] Error 1 (ignored) cd gb_rna && ./Run.gbrna.ips Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gbrna.ips: Program error make[3]: [test.sander.GB] Error 1 (ignored) cd gbsa_xfin && ./Run.gbsa Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gbsa: Program error make[3]: [test.sander.GB] Error 1 (ignored) cd circ_dna && ./Run.circdna Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.circdna: Program error make[3]: [test.sander.GB] Error 1 (ignored) cd gb2_trx && ./Run.trxox Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.trxox: Program error make[3]: [test.sander.GB] Error 1 (ignored) cd gb7_trx && ./Run.trxox && ./Run.trxox prmtop_an Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.trxox: Program error make[3]: [test.sander.GB] Error 1 (ignored) cd gb7_trx && ./Run.trxox_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.trxox_md: Program error make[3]: [test.sander.GB] Error 1 (ignored) cd gb8_trx && ./Run.trxox Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.trxox: Program error make[3]: [test.sander.GB] Error 1 (ignored) cd gb8_trx && ./Run.trxox_md && ./Run.trxox_md prmtop_an Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.trxox_md: Program error make[3]: [test.sander.GB] Error 1 (ignored) cd gbneck2nu/1hji && ./Run.1hji_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1hji_md: Program error make[3]: [test.sander.GB] Error 1 (ignored) cd gbneck2nu/modified_nu/3p4a/ && ./Run.3p4a Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.3p4a: Program error make[3]: [test.sander.GB] Error 1 (ignored) cd alpb_trx && ./Run.trxox Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.trxox: Program error make[3]: [test.sander.GB] Error 1 (ignored) cd gb1_cox2 && ./Run.cox2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.cox2: Program error make[3]: [test.sander.GB] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd rem_gb_2rep && ./Run.rem Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.rem: Program error make[2]: [test.sander.REM] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd rem_gb_4rep && ./Run.rem Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.rem: line 22: [: too many arguments Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.rem: Program error make[2]: [test.sander.REM] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd rxsgld_4rep && ./Run.rxsgld Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.rxsgld: line 26: [: too many arguments Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.rxsgld: Program error make[2]: [test.sander.REM] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd rem_wat && ./Run.rem Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.rem: Program error make[2]: [test.sander.REM] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd rem_hybrid && ./Run.rem Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.rem: Program error make[2]: [test.sander.REM] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd h_rem && ./Run.rem Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.rem: line 22: [: too many arguments Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.rem: Program error make[2]: [test.sander.REM] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd multid_remd && ./Run.multirem Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.multirem: line 22: [: too many arguments Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.multirem: Program error make[2]: [test.sander.REM] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd sodium && ./Run.sodium Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.sodium: Program error make[2]: [test.sander.TI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd pheMTI && ./Run.0 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.0: Program error make[2]: [test.sander.TI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd pheMTI && ./Run.1 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1: Program error make[2]: [test.sander.TI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd pheMTI && ./Run.lambda0 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.lambda0: Program error make[2]: [test.sander.TI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd pheMTI && ./Run.lambda1 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.lambda1: Program error make[2]: [test.sander.TI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd campTI && ./Run.campTI Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.campTI: Program error make[2]: [test.sander.TI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd softcore && ./Run_sc Running the Softcore potential tests ============================================================== Minimization test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.min: Program error Protein-Ligand complex test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.complex: Program error ============================================================== Solvation free energy test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.toluene: Program error Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.toluene2: Program error ============================================================== Dynamic lambda test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dynlmb: Program error ============================================================== Restrained complex test Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.complex_rst: Program error ============================================================== Using softcore electrostatics Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ethanol: Program error ============================================================== Soft core test suite complete ============================================================== export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd ti_decomp; ./Run.ti_decomp Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ti_decomp: Program error make[2]: [test.sander.TI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd ti_decomp; ./Run.ti_decomp_sc Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ti_decomp_sc: Program error make[2]: [test.sander.TI] Error 1 (ignored) export TESTsanderLES=/Applications/Amber17/amber16/bin/sander.LES.MPI; /Applications/Xcode.app/Contents/Developer/usr/bin/make -k test.sander.LES cd LES_noPME && ./Run.LESmd SANDER: LES MD gas phase Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.LESmd: Program error make[3]: [test.sander.LES] Error 1 (ignored) cd LES_noPME && ./Run.LESmd.rdiel SANDER: LES MD gas phase rdiel Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.LESmd.rdiel: Program error make[3]: [test.sander.LES] Error 1 (ignored) cd LES && ./Run.PME_LES ADDLES and SANDER.LES test: addles: diffing output_addles.save with output_addles PASSED ============================================================== diffing LES.crd.save with LES.crd PASSED ============================================================== diffing LES.prmtop.save with LES.prmtop PASSED ============================================================== sander.LES: Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.PME_LES: Program error make[3]: [test.sander.LES] Error 1 (ignored) cd LES_CUT && ./Run.LES SANDER.LES test, no PME Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.LES: Program error make[3]: [test.sander.LES] Error 1 (ignored) cd LES_TEMP && ./Run.2temp SANDER: LES T coupling Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.2temp: Program error make[3]: [test.sander.LES] Error 1 (ignored) cd LES_GB && ./Run.LES SANDER: LES+GB 1: GB/LES GB1 diffcoords Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.LES: Program error make[3]: [test.sander.LES] Error 1 (ignored) cd neb-testcases/neb_gb_partial && ./Run.neb_gb_partial This test case requires a least 4 mpi threads. The number of mpi threads must also be a multiple of 4 and not more than 12. Not running test, exiting..... cd neb-testcases/neb_gb_full && ./Run.neb_gb_full This test case requires a least 4 mpi threads. The number of mpi threads must also be a multiple of 4 and not more than 12. Not running test, exiting..... cd neb-testcases/neb_explicit && ./Run.neb_explicit This test case requires a least 4 mpi threads. The number of mpi threads must also be a multiple of 4 and not more than 12. Not running test, exiting..... cd nfe && ./run-parallel.sh >>>>>>> doing 'abmd_ANALYSIS' possible FAILURE: file mdout does not exist. ============================================================== possible FAILURE: file monitor.txt does not exist. ============================================================== >>>>>>> doing 'abmd_FLOODING' possible FAILURE: file mdout does not exist. ============================================================== possible FAILURE: file monitor.txt does not exist. ============================================================== /Applications/Amber17/amber16/bin/ncdump: umbrella.nc: No such file or directory ncgen: - line 1: syntax error, unexpected $end, expecting NETCDF /Applications/Amber17/amber16/bin/ncdump: ncdump.tmp: No such file or directory diffing umbrella.save.ncdump with umbrella.ncdump possible FAILURE: check umbrella.ncdump.dif ============================================================== /Applications/Amber17/amber16/bin/ncdump: wt_umbrella.nc: No such file or directory ncgen: - line 1: syntax error, unexpected $end, expecting NETCDF /Applications/Amber17/amber16/bin/ncdump: ncdump.tmp: No such file or directory diffing wt_umbrella.save.ncdump with wt_umbrella.ncdump possible FAILURE: check wt_umbrella.ncdump.dif ============================================================== >>>>>>> doing 'abmd_UMBRELLA' possible FAILURE: file mdout does not exist. ============================================================== possible FAILURE: file monitor.txt does not exist. ============================================================== >>>>>>> doing 'smd' possible FAILURE: file mdout does not exist. ============================================================== possible FAILURE: file smd.txt does not exist. ============================================================== >>>>>>> doing 'pmd' possible FAILURE: file mdout does not exist. ============================================================== possible FAILURE: file pmd.txt does not exist. ============================================================== >>>>>>> doing 'smd2' possible FAILURE: file mdout does not exist. ============================================================== possible FAILURE: file work.txt does not exist. ============================================================== >>>>>>> doing 'bbmd' This test case (/Applications/Amber17/amber16/test/nfe/bbmd) requires a least 4 mpi threads. The number of mpi threads must also be a multiple of 4 and not more than 256. Not running test, exiting ..... >>>>>>> doing 'abremd' This test case (/Applications/Amber17/amber16/test/nfe/abremd) requires a least 4 mpi threads. The number of mpi threads must also be a multiple of 4 and not more than 256. Not running test, exiting ..... >>>>>>> doing 'mwabmd' This test case (/Applications/Amber17/amber16/test/nfe/mwabmd) requires 8 mpi threads. Not running test, exiting ..... >>>>>>> doing 'premd' This test case (/Applications/Amber17/amber16/test/nfe/premd) requires a least 4 mpi threads. The number of mpi threads must also be a multiple of 4 and not more than 256. Not running test, exiting ..... export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; /Applications/Xcode.app/Contents/Developer/usr/bin/make -k test.sander.CHARMM cd chamber/md_engine/dhfr && ./Run.dhfr_charmm.min Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dhfr_charmm.min: Program error make[3]: [test.sander.CHARMM] Error 1 (ignored) cd chamber/md_engine/dhfr && ./Run.dhfr_charmm.md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dhfr_charmm.md: Program error make[3]: [test.sander.CHARMM] Error 1 (ignored) cd chamber/md_engine/dhfr_cmap && ./Run.dhfr_charmm.min Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dhfr_charmm.min: Program error make[3]: [test.sander.CHARMM] Error 1 (ignored) cd chamber/md_engine/dhfr_cmap && ./Run.dhfr_charmm.md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dhfr_charmm.md: Program error make[3]: [test.sander.CHARMM] Error 1 (ignored) cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm_noshake.min Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dhfr_cmap_pbc_charmm_noshake.min: Program error make[3]: [test.sander.CHARMM] Error 1 (ignored) cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm_noshake.md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dhfr_cmap_pbc_charmm_noshake.md: Program error make[3]: [test.sander.CHARMM] Error 1 (ignored) cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm.min Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dhfr_cmap_pbc_charmm.min: Program error make[3]: [test.sander.CHARMM] Error 1 (ignored) cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm.md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.dhfr_cmap_pbc_charmm.md: Program error make[3]: [test.sander.CHARMM] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.LES.MPI; /Applications/Xcode.app/Contents/Developer/usr/bin/make -k test.sander.PIMD.partial cd PIMD/part_pimd_water && ./Run.pimd This test not set up for parallel cannot run in parallel with #residues < #pes cd PIMD/part_nmpimd_water && ./Run.nmpimd This test not set up for parallel cannot run in parallel with #residues < #pes cd PIMD/part_pimd_helium && ./Run.pimd Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.pimd: Program error make[3]: [test.sander.PIMD.partial] Error 1 (ignored) cd PIMD/part_nmpimd_helium && ./Run.nmpimd Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmpimd: Program error make[3]: [test.sander.PIMD.partial] Error 1 (ignored) cd PIMD/part_nmpimd_ntp && ./Run.nmpimd Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nmpimd: Program error make[3]: [test.sander.PIMD.partial] Error 1 (ignored) cd PIMD/part_pimd_spcfw && ./Run.pimd Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.pimd: Program error make[3]: [test.sander.PIMD.partial] Error 1 (ignored) cd PIMD/part_cmd_water/equilib && ./Run.cmdyn Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.cmdyn: Program error make[3]: [test.sander.PIMD.partial] Error 1 (ignored) cd PIMD/part_cmd_water/start && ./Run.cmdyn Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.cmdyn: Program error make[3]: [test.sander.PIMD.partial] Error 1 (ignored) cd PIMD/part_cmd_water/restart && ./Run.cmdyn Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.cmdyn: Program error make[3]: [test.sander.PIMD.partial] Error 1 (ignored) cd PIMD/part_rpmd_water && ./Run.rpmd Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.rpmd: Program error make[3]: [test.sander.PIMD.partial] Error 1 (ignored) cd ti_mass/pent_LES_PIMD && ./Run.pentadiene This test not set up for parallel cannot run in parallel with #residues < #pes cd PIMD/full_cmd_water/equilib && ./Run.full_cmd This test case requires a least 4 mpi threads. The number of mpi threads must also be a multiple of 4 and not more than 32. Not running test, exiting..... cd PIMD/full_cmd_water/start && ./Run.full_cmd This test case requires a least 4 mpi threads. The number of mpi threads must also be a multiple of 4 and not more than 32. Not running test, exiting..... cd PIMD/full_cmd_water/restart && ./Run.full_cmd This test case requires a least 4 mpi threads. The number of mpi threads must also be a multiple of 4 and not more than 32. Not running test, exiting..... cd PIMD/full_nmpimd_water && ./Run.full_pimd This test case requires a least 4 mpi threads. The number of mpi threads must also be a multiple of 4 and not more than 32. Not running test, exiting..... cd PIMD/full_pimd_amoeba && ./Run.full_pimd_amoeba DO_PARALLEL set to mpirun -np 2 This test can be run only with four processes, exiting... ============================================================== cd PIMD/full_pimd_ln_water && ./Run.full_pimd_ln This test case requires a least 4 mpi threads. The number of mpi threads must also be a multiple of 4 and not more than 32. Not running test, exiting..... cd PIMD/full_pimd_nhc_water && ./Run.full_pimd_nhc This test case requires a least 4 mpi threads. The number of mpi threads must also be a multiple of 4 and not more than 32. Not running test, exiting..... cd PIMD/full_pimd_ntp_water && ./Run.full_pimd_ntp This test case requires a least 4 mpi threads. The number of mpi threads must also be a multiple of 4 and not more than 32. Not running test, exiting..... cd PIMD/full_rpmd_water && ./Run.full_rpmd This test case requires a least 4 mpi threads. The number of mpi threads must also be a multiple of 4 and not more than 32. Not running test, exiting..... cd ti_mass/pentadiene && ./Run.pentadiene Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.pentadiene: Program error make[2]: *** [test.sander.PIMD.MPI.full] Error 1 export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd cnstph/implicit && ./Run.cnstph Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.cnstph: Program error make[2]: [test.sander.constph.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd cnstph_remd/TempRem && ./Run.cnstph_remd Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.cnstph_remd: line 30: [: too many arguments Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.cnstph_remd: Program error make[2]: [test.sander.constph.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd cnstph_remd/pHREM && ./Run.pHremd Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.pHremd: line 20: [: too many arguments Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.pHremd: Program error make[2]: [test.sander.constph.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd cnstph_remd/Explicit_pHREM && ./Run.pHremd Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) File "", line 1 print( // 4 * 4 == ) ^ SyntaxError: invalid syntax File "", line 1 print( and // 4 >= 2) ^ SyntaxError: invalid syntax Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.pHremd: Program error make[2]: [test.sander.constph.MPI] Error 1 (ignored) export TESTsander='/Applications/Amber17/amber16/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala SANDER: 3D-RISM /Applications/Amber17/amber16/bin/sander.MPI compiled without RISM support. export TESTsander='/Applications/Amber17/amber16/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala.min SANDER: 3D-RISM /Applications/Amber17/amber16/bin/sander.MPI compiled without RISM support. export TESTsander='/Applications/Amber17/amber16/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala.imin5 SANDER: 3D-RISM /Applications/Amber17/amber16/bin/sander.MPI compiled without RISM support. export TESTsander='/Applications/Amber17/amber16/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala.mdiis0 SANDER: 3D-RISM /Applications/Amber17/amber16/bin/sander.MPI compiled without RISM support. export TESTsander='/Applications/Amber17/amber16/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala.mdiis1 SANDER: 3D-RISM /Applications/Amber17/amber16/bin/sander.MPI compiled without RISM support. export TESTsander='/Applications/Amber17/amber16/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala.resize SANDER: 3D-RISM w/ Force Extrapolation & dynamic solvation box /Applications/Amber17/amber16/bin/sander.MPI compiled without RISM support. export TESTsander='/Applications/Amber17/amber16/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala.dist SANDER: 3D-RISM: KH distributions /Applications/Amber17/amber16/bin/sander.MPI compiled without RISM support. export TESTsander='/Applications/Amber17/amber16/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala.dist.xyzv SANDER: 3D-RISM /Applications/Amber17/amber16/bin/sander.MPI compiled without RISM support. export TESTsander='/Applications/Amber17/amber16/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala.hnc SANDER: 3D-RISM /Applications/Amber17/amber16/bin/sander.MPI compiled without RISM support. export TESTsander='/Applications/Amber17/amber16/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala.pse1 SANDER: 3D-RISM /Applications/Amber17/amber16/bin/sander.MPI compiled without RISM support. export TESTsander='/Applications/Amber17/amber16/bin/sander.MPI' && cd crg_reloc/water && ./Run.water.min Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.water.min: Program error make[2]: [test.sander.crgreloc.MPI] Error 1 (ignored) export TESTsander='/Applications/Amber17/amber16/bin/sander.MPI' && cd crg_reloc/water && ./Run.water.md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.water.md: Program error make[2]: [test.sander.crgreloc.MPI] Error 1 (ignored) export TESTsander='../../../bin/sander.MPI'; cd amd && /Applications/Xcode.app/Contents/Developer/usr/bin/make -k test Testing AMD with PME Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.pme.amd1: Program error make[3]: [pme] Error 1 (ignored) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.pme.amd2: Program error make[3]: [pme] Error 1 (ignored) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.pme.amd3: Program error make[3]: [pme] Error 1 (ignored) Testing AMD with IPS Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ips.amd1: Program error make[3]: [ips] Error 1 (ignored) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ips.amd2: Program error make[3]: [ips] Error 1 (ignored) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ips.amd3: Program error make[3]: [ips] Error 1 (ignored) Testing AMD with GB Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gb.amd1: Program error make[3]: [gb] Error 1 (ignored) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gb.amd2: Program error make[3]: [gb] Error 1 (ignored) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gb.amd3: Program error make[3]: [gb] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd scaledMD && /Applications/Xcode.app/Contents/Developer/usr/bin/make -k test Testing scaledMD with PME Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.scaledMD: Program error make[3]: *** [pme] Error 1 make[3]: Target `test' not remade because of errors. make[2]: [test.parallel.sander.AMD] Error 2 (ignored) export TESTsander='../../bin/sander.MPI'; cd gact_ips && ./Run.ips_sgld Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ips_sgld: Program error make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd gact_ips && ./Run.ips_sgldfp Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ips_sgldfp: Program error make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd gact_ips && ./Run.ips_sgldg Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ips_sgldg: Program error make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd gact_ips && ./Run.ips_sgmdg Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ips_sgmdg: Program error make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd gb_rna && ./Run.gbrna.sgld Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gbrna.sgld: Program error make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd gb_rna && ./Run.gbrna.sgldfp Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gbrna.sgldfp: Program error make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd gb_rna && ./Run.gbrna.sgldg Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gbrna.sgldg: Program error make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd gb_rna && ./Run.gbrna.sgmdg Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.gbrna.sgmdg: Program error make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd emap/ && ./Run.emap Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.emap: Program error make[2]: [test.parallel.sander.emap] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd sander_OIN_MPI && ./Run.sander.OIN.MPI Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.sander.OIN.MPI: Program error make[2]: [test.sander.OIN.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd sinr_MPI && ./RUN.sander.SINR.MPI Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./RUN.sander.SINR.MPI: Program error make[2]: [test.sander.SINR.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; /Applications/Xcode.app/Contents/Developer/usr/bin/make -k test.sander.QMMM cd qmmm2/xcrd_build_test/ && ./Run.oct_nma_imaged Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.oct_nma_imaged: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/xcrd_build_test/ && ./Run.oct_nma_noimage Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.oct_nma_noimage: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/xcrd_build_test/ && ./Run.ortho_qmewald0 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ortho_qmewald0: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/xcrd_build_test/ && ./Run.truncoct_qmewald0 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.truncoct_qmewald0: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_calc_mulliken Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_calc_mulliken: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_qmgb2: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_alpb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_qmgb2_alpb: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_aq1 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_qmgb2_aq1: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_aq2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_qmgb2_aq2: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_saltcon Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_qmgb2_saltcon: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_internal Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_internal: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dspev Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_dspev: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dspevd Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_dspevd: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dspevx Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_dspevx: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyev Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_dsyev: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyevd Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_dsyevd: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyevr Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_dsyevr: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_auto Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_auto: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_min Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_min: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_aq1 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1_aq1: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_aq2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1_aq2: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_mmcorr Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1_mmcorr: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_qmewald2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1_qmewald2: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb2: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_aq2_NUMER_DERIV Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1_aq2_NUMER_DERIV: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_lnk_dis_neg Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1_lnk_dis_neg: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_lnk_method2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1_lnk_method2: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.notimaged: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.notimaged_md: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md_pme Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.notimaged_md_pme: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md_pme_qmewald Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.notimaged_md_pme_qmewald: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md_pme_qmewald_lowmem Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.notimaged_md_pme_qmewald_lowmem: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.imaged Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.imaged: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.imaged_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.imaged_md: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.img_center Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.img_center: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.img_center_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.img_center_md: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.img_center_bigqmcut_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.img_center_bigqmcut_md: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin && ./Run.crambin Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin && ./Run.crambin_md_hot_start Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_hot_start: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin && ./Run.crambin_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tip3p_cap: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tip3p_cap_md: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap_md.shake Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tip3p_cap_md.shake: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap_md.shake_qmshakeoff Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tip3p_cap_md.shake_qmshakeoff: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut && ./Run.MG_QM_water_MM Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.MG_QM_water_MM: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut && ./Run.MG_QM_water_MM_MD Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.MG_QM_water_MM_MD: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut_lowmem && ./Run.MG_QM_water_MM_MD Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.MG_QM_water_MM_MD: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut_ADDMM && ./Run.MG_QM_water_MM Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.MG_QM_water_MM: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut_ADDMM && ./Run.MG_QM_water_MM_MD Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.MG_QM_water_MM_MD: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/variable_solvent && ./Run.mg_periodic_vsolv_wat Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.mg_periodic_vsolv_wat: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/variable_solvent && ./Run.1NLN_MD_ntb1_vsolv Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1_vsolv: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/PM3-MMX && ./Run.crambin_md_pm3mmx Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_pm3mmx: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/PM3-MMX2 && ./Run.crambin_md_pm3mmx2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_pm3mmx2: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_PM6 && ./Run.crambin Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_PM6 && ./Run.crambin_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/PM3-MAIS && ./Run.zundel Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.zundel: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/PM3-MAIS && ./Run.hcl_wat Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.hcl_wat: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MechEm_nma-spcfwbox && ./Run.MechEm_PDDGPM3 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.MechEm_PDDGPM3: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/qmmm_switching_func && ./Run.nma_md_switching Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.nma_md_switching: Program error make[3]: [test.sander.QMMM] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; /Applications/Xcode.app/Contents/Developer/usr/bin/make -k test.sander.DFTB cd qmmm_DFTB/crambin_DFTB && ./Run.crambin Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/crambin_DFTB && ./Run.crambin_md_hot_start Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_hot_start: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/crambin_DFTB && ./Run.crambin_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_calc_mulliken Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_calc_mulliken: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_qmgb2: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_alpb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_qmgb2_alpb: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_aq1 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_qmgb2_aq1: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_aq2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_qmgb2_aq2: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_saltcon Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.crambin_md_qmgb2_saltcon: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb1 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.aladip_ewald_ntb1: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb1_link_atoms Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.aladip_ewald_ntb1_link_atoms: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb1_qmewald2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.aladip_ewald_ntb1_qmewald2: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.aladip_ewald_ntb2: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb1 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.aladip_pme_ntb1: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.aladip_pme_ntb2: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_link_atoms Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.aladip_pme_ntb2_link_atoms: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_link_atoms_aq1 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.aladip_pme_ntb2_link_atoms_aq1: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_link_atoms_aq2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.aladip_pme_ntb2_link_atoms_aq2: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_qmewald2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.aladip_pme_ntb2_qmewald2: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_telec Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.aladip_pme_ntb2_telec: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/MG_QM_water_MM_DFTB_qmcut && ./Run.MG_QM_water_MM Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.MG_QM_water_MM: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/MG_QM_water_MM_DFTB_qmcut && ./Run.MG_QM_water_MM_MD Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.MG_QM_water_MM_MD: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.notimaged: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.notimaged_md: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged_md_pme Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.notimaged_md_pme: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged_md_pme_qmewald Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.notimaged_md_pme_qmewald: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.imaged Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.imaged: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.imaged_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.imaged_md: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.img_center Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.img_center: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.img_center_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.img_center_md: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.img_center_bigqmcut_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.img_center_bigqmcut_md: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/MG_QM_water_MM_DFTB_qmcut_lowmem && ./Run.MG_QM_water_MM_MD Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.MG_QM_water_MM_MD: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tip3p_cap: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tip3p_cap_md: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap_md.shake Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tip3p_cap_md.shake: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap_md.shake_qmshakeoff Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.tip3p_cap_md.shake_qmshakeoff: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_min Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_min: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_lnk_dis_neg Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1_lnk_dis_neg: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_lnk_method2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1_lnk_method2: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_aq1 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1_aq1: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_aq1_disp Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1_aq1_disp: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_aq2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1_aq2: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_qmewald2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb1_qmewald2: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.1NLN_MD_ntb2: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/3rd-order/ala8 && ./Run.ala8_PA Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ala8_PA: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/3rd-order/ala8 && ./Run.ala8_PR Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.ala8_PR: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm2/MechEm_nma-spcfwbox && ./Run.MechEm_DFTB Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.MechEm_DFTB: Program error make[3]: [test.sander.DFTB] Error 1 (ignored) cd qmmm_DFTB/dftb3/nma-h2o-box && ./Run.nma-spcfw-15.md diffing nma-spcfw-15.md.out.save with nma-spcfw-15.md.out PASSED ============================================================== export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd qmmm_EXTERN/pure_QM_MD_ADF_PIMD && ./Run.h2o.blyp_sz.pimd ADF not installed - Skipping Test... Check your ADF installation and make sure that the ADF dftb executable is called dftb.exe export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd qmmm_EXTERN/pure_QM_MD_ADF_REMD && ./Run.h2o.blyp_sz.remd ADF not installed - Skipping Test... Check your ADF installation and make sure that the ADF executable is called adf.exe export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd qmmm_EXTERN/pure_QM_MD_GAMESS_PIMD && ./Run.h2o.hf_sto-3g.pimd GAMESS not installed - Skipping Test... Check your GAMESS installation and make sure that the GAMESS executable is called rungms export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd qmmm_EXTERN/pure_QM_MD_GAMESS_REMD && ./Run.h2o.hf_sto-3g.remd GAMESS not installed - Skipping Test... Check your GAMESS installation and make sure that the GAMESS executable is called rungms export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd qmmm_EXTERN/pure_QM_MD_GAUSSIAN_PIMD && ./Run.h2o.hf_sto-3g.pimd Gaussian will run on 1 CPU core (environment variable GAU_NCPUS not set) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.h2o.hf_sto-3g.pimd: Program error make[2]: *** [test.sander.EXTERN.MPI] Error 1 export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI && cd qmmm2/adqmmm_na+28water && ./Run.adqmmm Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.adqmmm: Program error make[2]: [test.sander.ADQMMM.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI && cd qmmm2/adqmmm_na+28water && ./Run.adqmmm-calc_wbk2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.adqmmm-calc_wbk2: Program error make[2]: [test.sander.ADQMMM.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI && cd qmmm2/adqmmm_na+28water && ./Run.adqmmm-fixedR Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.adqmmm-fixedR: Program error make[2]: [test.sander.ADQMMM.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI && cd qmmm2/adqmmm_h2o-box && ./Run.adqmmm Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.adqmmm: Program error make[2]: [test.sander.ADQMMM.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI && cd qmmm2/adqmmm_h2o-box && ./Run.adqmmm-fixedR-calc_wbk2 Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.adqmmm-fixedR-calc_wbk2: Program error make[2]: [test.sander.ADQMMM.MPI] Error 1 (ignored) export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; /Applications/Xcode.app/Contents/Developer/usr/bin/make -k test.sander.ABFQMMM cd abfqmmm/abfqmmm_water_sp && ./Run.abfqmmm_water_sp Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.abfqmmm_water_sp: Program error make[3]: [test.sander.ABFQMMM] Error 1 (ignored) cd abfqmmm/abfqmmm_water_md && ./Run.abfqmmm_water_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.abfqmmm_water_md: Program error make[3]: [test.sander.ABFQMMM] Error 1 (ignored) cd abfqmmm/abfqmmm_dmpoh_md && ./Run.abfqmmm_dmpoh_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.abfqmmm_dmpoh_md: Program error make[3]: [test.sander.ABFQMMM] Error 1 (ignored) cd abfqmmm/abfqmmm_lysozyme_md && ./Run.abfqmmm_lysozyme_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.abfqmmm_lysozyme_md: Program error make[3]: [test.sander.ABFQMMM] Error 1 (ignored) cd abfqmmm/adqmmm_water_md && ./Run.adqmmm_water_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.adqmmm_water_md: Program error make[3]: [test.sander.ABFQMMM] Error 1 (ignored) cd abfqmmm/hotspot_water_md && ./Run.hotspot_water_md Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.hotspot_water_md: Program error make[3]: [test.sander.ABFQMMM] Error 1 (ignored) cd evb/malon_bond_umb_GAFF && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_bond_umb_GAFF_MORSIFY && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_bond_umb_GAFF_MORSIFY_XVDW && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_GAFF && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_GAFF_MORSIFY && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_GAFF_MORSIFY_nmpimd_full && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_GAFF_MORSIFY_pimd_ld_full && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_GAFF_MORSIFY_pimd_nhc_full && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH_pimd_ld_full && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH_pimd_nhc_full && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH_nmpimd_full && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH_pimd_ld_full && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH_pimd_nhc_full && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH_nmpimd_full && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_emap_GAFF_MORSIFY && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_emap_GAFF_MORSIFY_XVDW && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_bond_umb_dg_UFF_3DG && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_bond_umb_dg_UFF_3DG_nmpimd_full && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_bond_umb_dg_UFF_3DG_pimd_ld_full && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_bond_umb_dg_UFF_3DG_pimd_nhc_full && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_bond_umb_dg_UFF_3DG_pimd_nhc_full_TI-MASS && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbond_umb_dg_UFF_3DG_pimd_nhc_full_TI-MASS && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_dg_UFF_3DG_qi_full_2D-PMF && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/malon_dbonds_umb_dg_UFF_3DG_qi_full_corrF && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/poh_dbonds_umb_dg_UFF_3DG && ./Run.evb Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./Run.evb: Program error make[2]: [test.sander.EVB] Error 1 (ignored) cd evb/poh_dbonds_umb_dg_UFF_9DG && ./Run.evb This test requires a larger stack size. Exiting. cd evb/poh_dbonds_umb_dg_UFF_9DG_pimd_ld_full && ./Run.evb This test requires a larger stack size. Exiting. cd evb/poh_dbonds_umb_dg_UFF_9DG_pimd_nhc_full && ./Run.evb This test requires a larger stack size. Exiting. cd evb/poh_dbonds_umb_dg_UFF_9DG_nmpimd_full && ./Run.evb This test requires a larger stack size. Exiting. cd evb/poh_dbonds_umb_dg_UFF_9DG_nmpimd_full_TST-freqf && ./Run.evb This test requires a larger stack size. Exiting. export TESTsander=/Applications/Amber17/amber16/bin/sander.MPI; cd sebomd/DC/water32 && ./min.csh && ./md.csh Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) Fatal error in MPI_Init: Other MPI error, error stack: MPIR_Init_thread(474)..............: MPID_Init(190).....................: channel initialization failed MPIDI_CH3_Init(89).................: MPID_nem_init(320).................: MPID_nem_tcp_init(173).............: MPID_nem_tcp_get_business_card(420): MPID_nem_tcp_init(379).............: gethostbyname failed, MCMErwin.local (errno 1) ./min.csh: Program error make[2]: [test.parallel.sander.SEBOMD] Error 1 (ignored) export TESTsander='../../../bin/sander.MPI'; cd emil/emil_sander_gbsa && ./Run.emil EMIL DO_PARALLEL is set: mpirun -np 2 ./Run.emil: Program error make[2]: [test.parallel.emil] Error 1 (ignored) export TESTsander='../../../bin/sander.MPI'; cd emil/emil_sander_tip3p && ./Run.emil EMIL DO_PARALLEL is set: mpirun -np 2 ./Run.emil: Program error make[2]: [test.parallel.emil] Error 1 (ignored) make[2]: Target `test.parallel.at' not remade because of errors. Finished test suite for AmberTools at Mon Sep 18 19:36:34 EDT 2017. 9 file comparisons passed 444 file comparisons failed 372 tests experienced errors Test log file saved as /Applications/Amber17/amber16/logs/test_at_parallel/2017-09-18_18-38-18.log Test diffs file saved as /Applications/Amber17/amber16/logs/test_at_parallel/2017-09-18_18-38-18.diff