make[1]: Entering directory `/usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/AmberTools/test' (find antechamber -name '*.out' -o -name '*.log' -o -name '*.lib' -o \ -name "*.dif" | \ while read dif ;\ do \ rm -f $dif ;\ done ;\ ) (cd leap && /bin/rm -f *.log *.out *.lib *.top ) (cd ptraj_rmsa && /bin/rm -f *.dif ) (cd ptraj_matrix && /bin/rm -f *.dif ) (cd ptraj_rms && /bin/rm -f *.dif ) (cd ptraj_les && /bin/rm -f *.dif ) (find sleap -name '*.out' -o -name '*.log' -o -name '*.lib' -o \ -name "*.dif" | \ while read dif ;\ do \ rm -f $dif ;\ done ;\ ) (find sqm -name '*.out' -o -name '*.dif' | \ while read dif ;\ do \ rm -f $dif ;\ done ;\ ) /bin/rm -f TEST_FAILURES.diff cd nab && make -k testlibrism make[2]: Entering directory `/usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/AmberTools/test/nab' Running test to make dna duplex: /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing d01.pdb.check with d01.pdb PASSED ============================================================== Running test to computed 3DNA deformation energies: /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing deform.out.check with deform.out PASSED ============================================================== Running Reflexive test: /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing ref.out.check with ref.out PASSED ============================================================== Running test of hashed arrays: /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing hash.out.check with hash.out PASSED ============================================================== Running test to compute chemical shifts (this tests many parts of the compiler and libraries) /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing 5pti.shifts.check with 5pti.shifts PASSED ============================================================== Running test to do simple minimization (this tests the molecular mechanics interface) /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing ltest.out.check with ltest.out PASSED ============================================================== Running test to do simple minimization with shake (this tests the molecular mechanics interface) /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing rattle_min.out.check with rattle_min.out PASSED ============================================================== Running test of fibre-diffraction module /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing fd.pdb.check with fd.pdb PASSED ============================================================== Running test to do simple minimization (this tests the generalized Born implementation) /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing gbrna.out.check with gbrna.out PASSED ============================================================== Running test to do simple minimization (this tests the generalized Born implementation) /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing xfin_sa.out.check with xfin_sa.out PASSED ============================================================== Running test to do simple minimization (this tests the LCPO surface area) /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing gbrna_sa.out.check with gbrna_sa.out PASSED ============================================================== Running test to do simple minimization (this tests the ao generalized Born implementation) /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing gbtrx.out.check with gbtrx.out PASSED ============================================================== Running test to do molecular dynamics with rattle /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing rattle_md.out.check with rattle_md.out PASSED ============================================================== Running test of randomized embedding /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing rembed.out.check with rembed.out PASSED ============================================================== Running test to compute NAB energy of 3dfr minus waters. /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail Compare the NAB energy with the previously computed Amber energy: Amber8 total energy is 5184.0880 NAB total energy is 5184.0880 diffing dhfrndpmtx.out.check with dhfrndpmtx.out PASSED ============================================================== Running test to compute GB Newton-Raphson and normal modes: /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail Note: Very small differences between asp.out and the saved file are common and do not necessarily indicate a problem. diffing asp.out.check with asp.out PASSED ============================================================== Running test to compute non-GB Newton-Raphson and normal modes: /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail Note: Small differences are common and do not necessarily indicate a problem. diffing aspnb.out.check with aspnb.out PASSED ============================================================== Running test to create Amber force-field description /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing prm.out.check with prm.out PASSED ============================================================== checking the prmtop file: diffing tprmtop.check with tprmtop1 PASSED ============================================================== Running test to create a simple mmCIF file /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing gbrna.cif.check with gbrna.cif PASSED ============================================================== Running test to do simple xmin minimization /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing txmin.out.check with txmin.out PASSED ============================================================== Running test to do simple lmod optimization /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing tlmod.out.check with tlmod.out PASSED ============================================================== Running test to compute GB normal modes using DSYEVD: /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing asp_nm1.out.check with asp_nm1.out PASSED ============================================================== Running test to compute GB normal modes using DSAUPD: /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing asp_nm2.out.check with asp_nm2.out PASSED ============================================================== Running test to compute Langevin modes: /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing asp_nm3.out.check with asp_nm3.out PASSED ============================================================== Running test of the isotropic periodic sum technique /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing dhfr_ips.out.check with dhfr_ips.out PASSED ============================================================== Running test to do simple minimization (libpbsa) (this tests the PBSA implementation) /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail ./Run.pbsa: line 9: 27148 Segmentation fault $DO_PARALLEL ./sff > pbdmp.out ./Run.pbsa: Program error make[2]: *** [pbsa_test] Error 1 Running test to do simple minimization (librism) (this tests the 3D-RISM implementation) /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing rismdmp.out.check with rismdmp.out PASSED ============================================================== Running test to do basic MD (librism) (this tests the 3D-RISM-KH implementation) /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail forrtl: severe (173): A pointer passed to DEALLOCATE points to an array that cannot be deallocated Image PC Routine Line Source sff 0000000000A9F94A Unknown Unknown Unknown sff 0000000000A9E4C5 Unknown Unknown Unknown libifcore.so.5 00002AB8D5DFEB92 Unknown Unknown Unknown libifcore.so.5 00002AB8D5D7452B Unknown Unknown Unknown libifcore.so.5 00002AB8D5DC1A58 Unknown Unknown Unknown sff 0000000000572900 Unknown Unknown Unknown sff 000000000053359E Unknown Unknown Unknown sff 00000000005307C8 Unknown Unknown Unknown sff 000000000050906E Unknown Unknown Unknown sff 0000000000424312 Unknown Unknown Unknown sff 0000000000421500 Unknown Unknown Unknown sff 000000000043315B Unknown Unknown Unknown sff 000000000040C1D4 Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown sff 000000000040BF59 Unknown Unknown Unknown ./Run.rism_md: Program error make[2]: *** [rism_md_test] Error 1 Running test to do basic MD (librism) (this tests the 3D-RISM-KH precission) /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing rismdist.out.check with rismdist.out PASSED ============================================================== diffing guv.O.4.dx.check with guv.O.4.dx PASSED ============================================================== diffing huv.O.4.dx.check with huv.O.4.dx PASSED ============================================================== diffing cuv.O.4.dx.check with cuv.O.4.dx PASSED ============================================================== diffing guv.H1.4.dx.check with guv.H1.4.dx PASSED ============================================================== diffing huv.H1.4.dx.check with huv.H1.4.dx PASSED ============================================================== diffing cuv.H1.4.dx.check with cuv.H1.4.dx PASSED ============================================================== Running test to do basic MD (librism) (this tests the 3D-RISM-HNC implementation) /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail forrtl: severe (173): A pointer passed to DEALLOCATE points to an array that cannot be deallocated Image PC Routine Line Source sff 0000000000A9F95A Unknown Unknown Unknown sff 0000000000A9E4D5 Unknown Unknown Unknown libifcore.so.5 00002BA1911A4B92 Unknown Unknown Unknown libifcore.so.5 00002BA19111A52B Unknown Unknown Unknown libifcore.so.5 00002BA191167A58 Unknown Unknown Unknown sff 0000000000572910 Unknown Unknown Unknown sff 00000000005335AE Unknown Unknown Unknown sff 00000000005307D8 Unknown Unknown Unknown sff 000000000050907E Unknown Unknown Unknown sff 0000000000424322 Unknown Unknown Unknown sff 0000000000421510 Unknown Unknown Unknown sff 000000000043316B Unknown Unknown Unknown sff 000000000040C1DE Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown sff 000000000040BF59 Unknown Unknown Unknown ./Run.rism_hnc: Program error make[2]: *** [rism_hnc] Error 1 Running test for ionic solvent and charge solute (this tests the 3D-RISM-KH implementation) /usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail diffing rismion.out.check with rismion.out PASSED ============================================================== make[2]: Target `testlibrism' not remade because of errors. make[2]: Leaving directory `/usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/AmberTools/test/nab' make[1]: *** [test.nab] Error 2 cd ptraj_rmsa && ./Run.rms diffing rms.dat.save with rms.dat PASSED ============================================================== cd ptraj_rms && ./Run.rms ptraj: test rms and 2drms commands diffing rms_fit.dat.save with rms_fit.dat PASSED ============================================================== diffing rms_nofit.dat.save with rms_nofit.dat PASSED ============================================================== diffing rms2d.ps.save with rms2d.ps PASSED ============================================================== cd ptraj_matrix && ./Run.matrix ptraj: analyze fluctuation matrices diffing 1rrb_vac_distmat.dat.save with 1rrb_vac_distmat.dat PASSED ============================================================== cd ptraj_order && ./Run.order ptraj: calculate S^2 parameters and relaxation rates via IRED matrix diffing orderparam.save with orderparam PASSED ============================================================== diffing noe.save with noe PASSED ============================================================== cd ptraj_trajectory && ./Run.ptraj ptraj: Test processing of trajectories with offsets and compression. diffing rem.crd.combined.save with rem.crd.combined PASSED ============================================================== diffing rem.crd.combined.save with gzip.rem.crd.combined PASSED ============================================================== diffing rem.crd.combined.save with bzip2.rem.crd.combined PASSED ============================================================== cd ptraj_remd_netcdf && ./Run.ptraj netcdf.mod ptraj: Test processing of REMD trajectories. diffing dist.crd.dat.save with dist.crd.dat PASSED ============================================================== ptraj: Test processing of NetCDF REMD trajectories. diffing dist.dat.save with dist.dat PASSED ============================================================== cd ptraj_comprehensive && ./Run.comprehensive netcdf.mod ptraj: Test multiple ptraj actions. diffing dist_end_to_end.list.save with dist_end_to_end.list PASSED ============================================================== diffing omega.save with omega PASSED ============================================================== diffing phi.save with phi PASSED ============================================================== diffing psi.save with psi PASSED ============================================================== diffing watershell.list.save with watershell.list PASSED ============================================================== diffing test.mdcrd.save with test.mdcrd PASSED ============================================================== testing NetCDF... diffing trajectory.mdcrd with trajectory_test.mdcrd PASSED ============================================================== cd antechamber/top2mol2 && ./Run.top2mol2 diffing sustiva.mol2.save with sustiva.mol2 PASSED ============================================================== diffing dna.mol2.save with dna.mol2 PASSED ============================================================== diffing dna_wat.mol2.save with dna_wat.mol2 PASSED ============================================================== diffing aa.mol2.save with aa.mol2 PASSED ============================================================== cd antechamber/database && ./Run.database diffing total.frcmod.save with total.frcmod PASSED ============================================================== diffing total.prepi.save with total.prepi PASSED ============================================================== cd antechamber/bondtype && ./Run.bondtype diffing ABAKOE.prepi.save with ABAKOE.prepi PASSED ============================================================== diffing PFPHHG02.prepi.save with PFPHHG02.prepi PASSED ============================================================== diffing fluorescein2.mol2.save with fluorescein2.mol2 PASSED ============================================================== diffing fluorescein_f2.mol2.save with fluorescein_f2.mol2 PASSED ============================================================== cd antechamber/c60 && ./Run.c60 diffing buckyball.mol2.save with buckyball.mol2 PASSED ============================================================== diffing buckyball.gzmat.save with buckyball.gzmat PASSED ============================================================== diffing buckyball.jcrt.save with buckyball.jcrt PASSED ============================================================== diffing buckyball.prepi.save with buckyball.prepi PASSED ============================================================== diffing buckyball.ac.save with buckyball.ac PASSED ============================================================== cd antechamber/charmm && ./Run.charmm diffing ala2.inp.save with ala2.inp PASSED ============================================================== diffing ala2.rtf.save with ala2.rtf PASSED ============================================================== diffing ala2.prm.save with ala2.prm PASSED ============================================================== diffing ala2_charmm.mol2.save with ala2_charmm.mol2 PASSED ============================================================== cd antechamber/chemokine && ./Run.1b2t diffing 1b2t.mol2.save with 1b2t.mol2 PASSED ============================================================== diffing 1b2t.ac.save with 1b2t.ac PASSED ============================================================== cd antechamber/tp && ./Run.tp diffing tp.mol2.save with tp.mol2 PASSED ============================================================== diffing frcmod.save with frcmod PASSED ============================================================== cd antechamber/ash && ./Run.ash diffing ash.mol2.save with ash.mol2 PASSED ============================================================== diffing frcmod.save with frcmod PASSED ============================================================== cd antechamber/sustiva && ./Run.sustiva diffing sustiva.mol2.save with sustiva.mol2 PASSED ============================================================== diffing frcmod.save with frcmod PASSED ============================================================== diffing leap.out.save with leap.out PASSED ============================================================== cd antechamber/fluorescein && ./Run.fluorescein diffing fluorescein.mol2.save with fluorescein.mol2 PASSED ============================================================== diffing frcmod.save with frcmod PASSED ============================================================== cd antechamber/guanine_amber && ./Run.guanine_amber diffing DGN.mol2.save with DGN.mol2 PASSED ============================================================== cd antechamber/fpph && ./Run.fpph_resp diffing fpph_resp.mol2.save with fpph_resp.mol2 PASSED ============================================================== cd antechamber/residuegen && ./Run.ala diffing ala.ac.save with ala.ac PASSED ============================================================== diffing ala.esp.save with ala.esp PASSED ============================================================== diffing ala.prep.save with ala.prep PASSED ============================================================== cd leap && ./Run.tleap AMBERHOME is set to /usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1 Running leap tests on ./tleap -> ../../exe/teLeap building force field libraries: '91 ff.. diffing /usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/dat/leap/lib/all_amino91.lib with all_amino91.lib PASSED ============================================================== diffing /usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/dat/leap/lib/all_aminoct91.lib with all_aminoct91.lib PASSED ============================================================== diffing /usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/dat/leap/lib/all_aminont91.lib with all_aminont91.lib PASSED ============================================================== diffing /usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/dat/leap/lib/all_nucleic91.lib with all_nucleic91.lib PASSED ============================================================== diffing /usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/dat/leap/lib/ions91.lib with ions91.lib PASSED ============================================================== '94 ff.. diffing /usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/dat/leap/lib/all_amino94.lib with all_amino94.lib PASSED ============================================================== diffing /usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/dat/leap/lib/all_aminoct94.lib with all_aminoct94.lib PASSED ============================================================== diffing /usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/dat/leap/lib/all_aminont94.lib with all_aminont94.lib PASSED ============================================================== diffing /usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/dat/leap/lib/all_nucleic94.lib with all_nucleic94.lib PASSED ============================================================== diffing /usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/dat/leap/lib/ions94.lib with ions94.lib PASSED ============================================================== loadpdb and saveamberparm: 94 ff.. - aminoan94 comparing topology to earlier leap version.. diffing ff94/all_aminoan94.top with all_aminoan94.top PASSED ============================================================== - aminonc94 comparing topology to earlier leap version.. diffing ff94/all_aminonc94.top with all_aminonc94.top PASSED ============================================================== - dna94 comparing topology to earlier leap version.. diffing ff94/all_dna94.top with all_dna94.top PASSED ============================================================== - rna94 comparing topology to earlier leap version.. diffing ff94/all_rna94.top with all_rna94.top PASSED ============================================================== -------------------------------------------------------------- Notes: - If all tests PASSED, you can 'rm *.log *.out *.lib *.top' - For a discussion of energy differences (sander*.dif) see 0README. - It is common to see round-off differences in the portion of these tests -------------------------------------------------------------- cd sleap && make -k test make[2]: Entering directory `/usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/AmberTools/test/sleap' /bin/rm -f `find . -name "*.dif"` /bin/rm -f TEST_FAILURES.diff cd mdlsdf; ./Run.mdlsdf diffing crown_2.sdf.save with crown_2.sdf PASSED ============================================================== cd tripos; ./Run.tripos diffing wy.mol2.save with wy.mol2 PASSED ============================================================== cd pdbent; ./Run.pdbent1 diffing 1hpv.mol2.save with 1hpv.mol2 PASSED ============================================================== cd pdbent; ./Run.pdbent2 diffing mdl_1hpv.mol2.save with mdl_1hpv.mol2 PASSED ============================================================== cd offlib; ./Run.off diffing hpv.off.save with hpv.off PASSED ============================================================== cd source; ./Run.source diffing source.out.save with source.out PASSED ============================================================== cd prmtop; ./Run.prmtop1 diffing hpv.top.save with hpv.top PASSED ============================================================== diffing hpv.xyz.save with hpv.xyz PASSED ============================================================== cd prmtop; ./Run.prmtop2 This is a long test; please wait patiently... diffing box.out.save with box.out PASSED ============================================================== diffing hpv_box.top.save with hpvbox.top PASSED ============================================================== cd prmtop; ./Run.prmtop3 This is a long test; please wait patiently... diffing hpv_cap.top.save with hpv_cap.top PASSED ============================================================== cd prmtop; ./Run.prmtoppol diffing ubqpol.top.save with ubqpol.top PASSED ============================================================== diffing ubqpol.xyz.save with ubqpol.xyz PASSED ============================================================== cd solvate; ./Run.solvatebox This is a long test; please wait patiently... diffing hpvbox.pdb.save with hpvbox.pdb PASSED ============================================================== diffing hpvbox.top.save with hpvbox.top PASSED ============================================================== cd solvate; ./Run.solvatebox_closeness This is a long test; please wait patiently... diffing hpvbox_closeness.pdb.save with hpvbox_closeness.pdb PASSED ============================================================== cd solvate; ./Run.solvatecap diffing hpvcap.pdb.save with hpvcap.pdb PASSED ============================================================== cd solvate; ./Run.solvateoct This is a long test; please wait patiently... diffing hpvoct.pdb.save with hpvoct.pdb PASSED ============================================================== diffing hpvoct.top.save with hpvoct.top PASSED ============================================================== cd solvate; ./Run.solvateshell This is a long test; please wait patiently... diffing hpvshell.pdb.save with hpvshell.pdb PASSED ============================================================== cd amoeba; ./Run.amoeba diffing jac_2.prmtop.save with jac_2.prmtop PASSED ============================================================== cd amoeba; ./Run.amoeba_sol diffing hpv.prmtop.save with hpv.prmtop PASSED ============================================================== cd builder; ./Run.builder diffing water.mol2.save with water.mol2 PASSED ============================================================== diffing wat2.mol2.save with wat2.mol2 PASSED ============================================================== cd addions; ./Run.addions1 diffing hpv_ion.pdb.save with hpv_ion.pdb PASSED ============================================================== cd addions; ./Run.addions2 diffing hpv_ion2.pdb.save with hpv_ion2.pdb PASSED ============================================================== cd addions; ./Run.addions3 diffing 1zik_ion.mol2.save with 1zik_ion.mol2 PASSED ============================================================== cd molinfo; ./Run.molinfo diffing leap.out.save with leap.out PASSED ============================================================== cd polymer; ./Run.polymer diffing combine.mol2.save with combine.mol2 PASSED ============================================================== diffing sequence.mol2.save with sequence.mol2 PASSED ============================================================== cd polymer; ./Run.impose diffing impose.out.save with impose.out PASSED ============================================================== diffing impose.mol2.save with impose.mol2 PASSED ============================================================== cd polymer; ./Run.polymer2 diffing aa.mol2.save with aa.mol2 PASSED ============================================================== cd polymer; ./Run.zmatrix diffing zmatrix.out.save with zmatrix.out PASSED ============================================================== diffing meoh.mol2.save with meoh.mol2 PASSED ============================================================== cd bondbydis; ./Run.bondbydis diffing wy.sdf.save with wy.sdf PASSED ============================================================== cd DNA; ./Run.DNA1 diffing 132d.mol2.save with 132d.mol2 PASSED ============================================================== cd DNA; ./Run.DNA2 diffing 32d.top.save with 32d.top PASSED ============================================================== cd oldleap; ./Run.oldleap diffing ff91/all_amino91.lib.save with ff91/all_amino91.lib PASSED ============================================================== diffing ff91/all_aminont91.lib.save with ff91/all_aminont91.lib PASSED ============================================================== diffing ff91/all_aminoct91.lib.save with ff91/all_aminoct91.lib PASSED ============================================================== diffing ff91/all_nucleic91.lib.save with ff91/all_nucleic91.lib PASSED ============================================================== diffing ff94/all_amino94.lib.save with ff94/all_amino94.lib PASSED ============================================================== diffing ff94/all_aminont94.lib.save with ff94/all_aminont94.lib PASSED ============================================================== diffing ff94/all_aminoct94.lib.save with ff94/all_aminoct94.lib PASSED ============================================================== diffing ff94/all_nucleic94.lib.save with ff94/all_nucleic94.lib PASSED ============================================================== diffing ff94/all_aminoan94.top.save with ff94/all_aminoan94.top PASSED ============================================================== diffing ff94/all_aminoan94.crd.save with ff94/all_aminoan94.crd PASSED ============================================================== diffing ff94/all_aminonc94.top.save with ff94/all_aminonc94.top PASSED ============================================================== diffing ff94/all_aminonc94.crd.save with ff94/all_aminonc94.crd PASSED ============================================================== diffing ff94/all_dna94.top.save with ff94/all_dna94.top PASSED ============================================================== diffing ff94/all_dna94.crd.save with ff94/all_dna94.crd PASSED ============================================================== diffing ff94/all_rna94.top.save with ff94/all_rna94.top PASSED ============================================================== diffing ff94/all_rna94.crd.save with ff94/all_rna94.crd PASSED ============================================================== cd disulfide; ./Run.auto diffing crn.mol2.save with crn.mol2 PASSED ============================================================== cd disulfide; ./Run.manu diffing crn.mol2.save with crn.mol2 PASSED ============================================================== cd disulfide; ./Run.auto.H diffing crn.H.mol2.save with crn.H.mol2 PASSED ============================================================== diffing crn.top.save with crn.top PASSED ============================================================== diffing crn.xyz.save with crn.xyz PASSED ============================================================== cd propdiol; ./Run.test1 diffing mol.prmtop.save with mol.prmtop PASSED ============================================================== diffing test1.out.save with test1.out PASSED ============================================================== cd propdiol; ./Run.test2 diffing mol2.prmtop.save with mol2.prmtop PASSED ============================================================== diffing test2.out.save with test2.out PASSED ============================================================== cd glycam; ./Run.test1 diffing n.pdb.save with n.pdb PASSED ============================================================== cd transform; ./Run.translate diffing meoh_trans1.mol2.save with meoh_trans1.mol2 PASSED ============================================================== diffing meoh_trans2.mol2.save with meoh_trans2.mol2 PASSED ============================================================== cd 14scale; ./Run.14scale_test1 diffing nma1.prmtop.save with nma1.prmtop PASSED ============================================================== cd 14scale; ./Run.14scale_test2 diffing nma2.prmtop.save with nma2.prmtop PASSED ============================================================== ./cpTESTF.sh make[2]: Leaving directory `/usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/AmberTools/test/sleap' cd resp && ./Run.ade RESP stage 1: diffing ade_1st.out.save with ade_1st.out PASSED ============================================================== diffing ade_1st.pch.save with ade_1st.pch PASSED ============================================================== diffing ade_1st_calc.esp.save with ade_1st_calc.esp PASSED ============================================================== RESP stage 2: diffing ade_1st.chg.save with ade_1st.chg PASSED ============================================================== diffing ade_2nd.out.save with ade_2nd.out PASSED ============================================================== diffing ade_2nd.pch.save with ade_2nd.pch PASSED ============================================================== diffing ade_2nd.chg.save with ade_2nd.chg PASSED ============================================================== cd pbsa_dmp && ./Run.dmp.min forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.dmp.min: Program error make[1]: [test.pbsa] Error 1 (ignored) cd pbsa_lpb && ./Run.lsolver.min forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.lsolver.min: Program error make[1]: [test.pbsa] Error 1 (ignored) cd pbsa_tsr && ./Run.tsrb.min forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D87 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.tsrb.min: Program error make[1]: [test.pbsa] Error 1 (ignored) cd pbsa_radi && ./Run.ion.min diffing ./out.save/Li.out.save with Li.out PASSED ============================================================== diffing ./out.save/Na.out.save with Na.out PASSED ============================================================== diffing ./out.save/K.out.save with K.out PASSED ============================================================== diffing ./out.save/Rb.out.save with Rb.out PASSED ============================================================== diffing ./out.save/Cs.out.save with Cs.out PASSED ============================================================== diffing ./out.save/F.out.save with F.out PASSED ============================================================== diffing ./out.save/Cl.out.save with Cl.out PASSED ============================================================== diffing ./out.save/IM.out.save with IM.out PASSED ============================================================== diffing ./out.save/Br.out.save with Br.out PASSED ============================================================== diffing ./out.save/I.out.save with I.out PASSED ============================================================== diffing ./out.save/MG.out.save with MG.out PASSED ============================================================== diffing ./out.save/Ca.out.save with Ca.out PASSED ============================================================== diffing ./out.save/Zn.out.save with Zn.out PASSED ============================================================== diffing ./out.save/tp3.out.save with tp3.out PASSED ============================================================== forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.ion.min: Program error make[1]: [test.pbsa] Error 1 (ignored) cd pbsa_npb && ./test pbsa.ncg.bc5 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.110D.min: Program error pbsa.ncg.bc6 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.110D.min: Program error pbsa.nsor.bc5 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.110D.min: Program error pbsa.nsor.bc6 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.110D.min: Program error pbsa.asor.bc5 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.110D.min: Program error pbsa.asor.bc6 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.110D.min: Program error pbsa.dsor.bc5 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.110D.min: Program error pbsa.dsor.bc6 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.110D.min: Program error pbsa.ntmg.bc5 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.110D.min: Program error pbsa.nticcg.bc5 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.110D.min: Program error pbsa.nticcg.bc6 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.110D.min: Program error cd pbsa_frc && ./test dbf_0.argasp forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D87 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.argasp.min: Program error dbf_0.dadt forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.dadt.min: Program error dbf_0.dgdc forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.dgdc.min: Program error dbf_0.lysasp forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.lysasp.min: Program error dbf_0.polyALA forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D87 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.polyALA.min: Program error dbf_0.polyAT forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.polyAT.min: Program error dbf_1.argasp forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D87 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.argasp.min: Program error dbf_1.dadt forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.dadt.min: Program error dbf_1.dgdc forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.dgdc.min: Program error dbf_1.lysasp forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.lysasp.min: Program error dbf_1.polyALA forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D87 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.polyALA.min: Program error dbf_1.polyAT forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.polyAT.min: Program error dbf_2.argasp forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D87 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.argasp.min: Program error dbf_2.dadt forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.dadt.min: Program error dbf_2.dgdc forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.dgdc.min: Program error dbf_2.lysasp forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.lysasp.min: Program error dbf_2.polyALA forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D87 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.polyALA.min: Program error dbf_2.polyAT forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.polyAT.min: Program error cd pbsa_ipb2 && ./Run.110D.min forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D58 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.110D.min: Program error make[1]: [test.pbsa] Error 1 (ignored) cd pbsa_delphi && ./Run.1az6.min forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pbsa 0000000000419D87 Unknown Unknown Unknown pbsa 000000000040EA1A Unknown Unknown Unknown pbsa 0000000000408243 Unknown Unknown Unknown pbsa 0000000000405666 Unknown Unknown Unknown pbsa 000000000040248C Unknown Unknown Unknown libc.so.6 0000003B6B21D994 Unknown Unknown Unknown pbsa 0000000000402389 Unknown Unknown Unknown ./Run.1az6.min: Program error make[1]: [test.pbsa] Error 1 (ignored) cd ambpdb && ./Run.ambpdb | New format PARM file being parsed. | Version = 1.000 Date = 02/19/04 Time = 15:33:29 diffing restrt.pdb.save with restrt.pdb PASSED ============================================================== cd ambpdb_first_protein && ./Run.ambpdb | New format PARM file being parsed. | Version = 1.000 Date = 02/15/07 Time = 16:57:28 diffing first.pdb.save with first.pdb PASSED ============================================================== cd ambpdb_first_rna && ./Run.ambpdb | New format PARM file being parsed. | Version = 1.000 Date = 05/18/06 Time = 18:52:52 diffing first.pdb.save with first.pdb PASSED ============================================================== cd elsize && ./Run.elsize diffing elsize_out.trxox.save with elsize_out.trxox PASSED ============================================================== cd ./chamber/trans-but-2-ene && ./Run /bin/rm: No match. diffing chamber.out.save with chamber.out PASSED ============================================================== diffing prmtop.save with prmtop PASSED ============================================================== diffing inpcrd.save with inpcrd PASSED ============================================================== cd ./chamber/ala_ala_ala && ./Run /bin/rm: No match. diffing chamber.out.save with chamber.out PASSED ============================================================== diffing prmtop.save with prmtop PASSED ============================================================== diffing inpcrd.save with inpcrd PASSED ============================================================== cd ./chamber/poly_pro_gas && ./Run.poly_pro_gas_chamber diffing chamber.crd.out.save with chamber.crd.out PASSED ============================================================== diffing poly_pro_gas_all22.crd.prmtop.save with poly_pro_gas_all22.crd.prmtop PASSED ============================================================== diffing poly_pro_gas_all22.crd.inpcrd.save with poly_pro_gas_all22.crd.inpcrd PASSED ============================================================== diffing chamber.pdb.out.save with chamber.pdb.out PASSED ============================================================== diffing poly_pro_gas_all22.pdb.prmtop.save with poly_pro_gas_all22.pdb.prmtop PASSED ============================================================== diffing poly_pro_gas_all22.pdb.inpcrd.save with poly_pro_gas_all22.pdb.inpcrd PASSED ============================================================== cd ./chamber/glucose && ./Run /bin/rm: No match. diffing chamber.out.save with chamber.out PASSED ============================================================== diffing prmtop.save with prmtop PASSED ============================================================== diffing inpcrd.save with inpcrd PASSED ============================================================== cd ./chamber/dhfr_gas && ./Run.dhfr_gas_chamber diffing chamber.out.save with chamber.out PASSED ============================================================== diffing dhfr_gas_all22_prot.prmtop.save with dhfr_gas_all22_prot.prmtop PASSED ============================================================== diffing dhfr_gas_all22_prot.inpcrd.save with dhfr_gas_all22_prot.inpcrd PASSED ============================================================== cd ./chamber/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_chamber /bin/rm: No match. diffing chamber.out.save with chamber.out PASSED ============================================================== diffing prmtop.save with prmtop PASSED ============================================================== diffing inpcrd.save with inpcrd PASSED ============================================================== cd ./sqm/c2h2 && ./Run diffing c2h2.pm3.sp.out.save with c2h2.pm3.sp.out PASSED ============================================================== diffing c2h2.pm6.sp.out.save with c2h2.pm6.sp.out PASSED ============================================================== diffing c2h2.pm3.go.out.save with c2h2.pm3.go.out PASSED ============================================================== diffing c2h2.pm6.go.out.save with c2h2.pm6.go.out PASSED ============================================================== cd ./sqm/ch3f && ./Run diffing ch3f.pm3.sp.out.save with ch3f.pm3.sp.out PASSED ============================================================== diffing ch3f.pm6.sp.out.save with ch3f.pm6.sp.out PASSED ============================================================== diffing ch3f.pm3.go.out.save with ch3f.pm3.go.out PASSED ============================================================== diffing ch3f.pm6.go.out.save with ch3f.pm6.go.out PASSED ============================================================== cd ./sqm/nma && ./Run ../../check_slko_files.x: Permission denied. diffing nma.pm3.sp.out.save with nma.pm3.sp.out PASSED ============================================================== diffing nma.pm6.sp.out.save with nma.pm6.sp.out PASSED ============================================================== diffing nma.pm3.go.out.save with nma.pm3.go.out PASSED ============================================================== diffing nma.pm6.go.out.save with nma.pm6.go.out PASSED ============================================================== cd ./rism1d/spc && ./Run.spc diffing spc.xvv.save with spc.xvv PASSED ============================================================== cd ./rism1d/spc && ./Run.spc-nacl diffing spc-nacl.xvv.save with spc-nacl.xvv PASSED ============================================================== cd ./rism1d/tip3p && ./Run.tip3p diffing tip3p.xvv.save with tip3p.xvv PASSED ============================================================== cd ./rism1d/tip3p && ./Run.tip3p-nacl diffing tip3p-nacl.xvv.save with tip3p-nacl.xvv PASSED ============================================================== Finished test suite for AmberTools at Fri Dec 3 14:08:02 CET 2010. make[1]: Target `test.serial' not remade because of errors. make[1]: Leaving directory `/usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/AmberTools/test' 234 file comparisons passed 0 file comparisons failed 50 tests experienced errors