make[2]: Entering directory '/home/manojiids/amber14/AmberTools/test' ./test_at_clean.sh cd mmpbsa_py && make -k clean make[3]: Entering directory '/home/manojiids/amber14/AmberTools/test/mmpbsa_py' 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 make[3]: Leaving directory '/home/manojiids/amber14/AmberTools/test/mmpbsa_py' cd ../src/mm_pbsa/Examples && ./Run.mmpbsa.clean cd ../src/FEW/examples/test && ./Run.few.clean cd cpptraj && make -k clean make[3]: Entering directory '/home/manojiids/amber14/AmberTools/test/cpptraj' 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 ;\ ) make test.complete OPT=clean make[4]: Entering directory '/home/manojiids/amber14/AmberTools/test/cpptraj' make[4]: Leaving directory '/home/manojiids/amber14/AmberTools/test/cpptraj' make[3]: Leaving directory '/home/manojiids/amber14/AmberTools/test/cpptraj' 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 && make -k test make[3]: Entering directory '/home/manojiids/amber14/AmberTools/test/nab' Running test to do simple minimization (this tests the molecular mechanics interface) -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.sff: Program error Makefile:34: recipe for target 'sff_test' failed make[3]: *** [sff_test] Error 1 Running test to do simple minimization with shake (this tests the molecular mechanics interface) -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.shake: Program error Makefile:37: recipe for target 'rattle_min_test' failed make[3]: *** [rattle_min_test] Error 1 Running test to do simple minimization (this tests the generalized Born implementation) -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gb: Program error Makefile:43: recipe for target 'gb_test' failed make[3]: *** [gb_test] Error 1 Running test to do simple minimization (this tests the generalized Born implementation) -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.xfin: Program error Makefile:46: recipe for target 'xfin_test' failed make[3]: *** [xfin_test] Error 1 Running test to do simple minimization (this tests the LCPO surface area) -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gbsa: Program error Makefile:49: recipe for target 'gbsa_test' failed make[3]: *** [gbsa_test] Error 1 Running test to do simple minimization (this tests the ao generalized Born implementation) -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gb2: Program error Makefile:52: recipe for target 'gb2_test' failed make[3]: *** [gb2_test] Error 1 Running test to do simple minimization (this tests the ao-2 generalized Born implementation) -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gb5: Program error Makefile:55: recipe for target 'gb5_test' failed make[3]: *** [gb5_test] Error 1 Running test to do simple minimization (this tests the GB Neck implementation; gb==8) -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gb8: Program error Makefile:61: recipe for target 'gb8_test' failed make[3]: *** [gb8_test] Error 1 Running test to do simple minimization (this tests the GB Neck implementation; gb==7) -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gb7: Program error Makefile:58: recipe for target 'gb7_test' failed make[3]: *** [gb7_test] Error 1 Running test to do molecular dynamics with rattle -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.rattle_md: Program error Makefile:64: recipe for target 'rattle_md_test' failed make[3]: *** [rattle_md_test] Error 1 Running test to compute NAB energy of 3dfr minus waters. -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dhfrndpmtx: Program error Makefile:73: recipe for target 'dhfrndpmtx_test' failed make[3]: *** [dhfrndpmtx_test] Error 1 Running test to compute GB Newton-Raphson and normal modes: -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.asp: Program error Makefile:76: recipe for target 'asp_test' failed make[3]: *** [asp_test] Error 1 Running test to compute non-GB Newton-Raphson and normal modes: -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.aspnb: Program error Makefile:79: recipe for target 'aspnb_test' failed make[3]: *** [aspnb_test] Error 1 Running test to create Amber force-field description -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.prm: Program error Makefile:91: recipe for target 'prm_test' failed make[3]: *** [prm_test] Error 1 Running test to do simple xmin minimization -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.xmin: Program error Makefile:97: recipe for target 'xmin_test' failed make[3]: *** [xmin_test] Error 1 Running test on netcdf files -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.netcdf: Program error Makefile:100: recipe for target 'netcdf_test' failed make[3]: *** [netcdf_test] Error 1 Running test for variable 1-4 scaled nonbonded interactions -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.variable_14: Program error Makefile:85: recipe for target 'variable_14test' failed make[3]: *** [variable_14test] Error 1 Running test to do simple lmod optimization -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- diffing tlmod.out.check with tlmod.out PASSED ============================================================== Running test to compute GB normal modes using DSYEVD: -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmode1: Program error Makefile:106: recipe for target 'nmode1_test' failed make[3]: *** [nmode1_test] Error 1 Running test to compute GB normal modes using DSAUPD: -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmode2: Program error Makefile:109: recipe for target 'nmode2_test' failed make[3]: *** [nmode2_test] Error 1 Running test to compute Langevin modes: -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmode3: Program error Makefile:112: recipe for target 'nmode3_test' failed make[3]: *** [nmode3_test] Error 1 Running test of the isotropic periodic sum technique -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ips: Program error Makefile:115: recipe for target 'ips_test' failed 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[3]: Leaving directory '/home/manojiids/amber14/AmberTools/test/nab' Makefile:24: recipe for target 'test.nab' failed make[2]: *** [test.nab] Error 2 cd mmpbsa_py && make test make[3]: Entering directory '/home/manojiids/amber14/AmberTools/test/mmpbsa_py' cd 07_Comprehensive && ./Run.comprehensive Skipping test: sander not found. make[3]: Leaving directory '/home/manojiids/amber14/AmberTools/test/mmpbsa_py' make[2]: Target 'test.parallel2' not remade because of errors. make[2]: Leaving directory '/home/manojiids/amber14/AmberTools/test' make[2]: Entering directory '/home/manojiids/amber14/test' export TESTsander=/home/manojiids/amber14/bin/sander.MPI; make -k test.sander.BASIC make[3]: Entering directory '/home/manojiids/amber14/test' cd cytosine && ./Run.cytosine -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.cytosine: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd nonper && ./Run.nonper -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nonper: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd nonper && ./Run.nonper.belly -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nonper.belly: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd nonper && ./Run.nonper.belly.mask -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd nonper && ./Run.nonper.min -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nonper.min: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd nonper && ./Run.cap -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.cap: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd nonper && ./Run.nonper.nocut -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nonper.nocut: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd tip4p && ./Run.tip4p -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.tip4p: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd tip4p && ./Run.tip4p_mcbar -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.tip4p_mcbar: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd tip4p && ./Run.tip4p_nve -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.tip4p_nve: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd tip5p && ./Run.tip5p -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.tip5p: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd tip5p && ./Run.tip5p_nve -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.tip5p_nve: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd 4096wat && ./Run.pure_wat -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.pure_wat: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd 4096wat && ./Run.pure_wat_nmr_temp_reg -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.pure_wat_nmr_temp_reg: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd 4096wat && ./Run.vrand -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.vrand: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd 4096wat && ./Run.frcdmp -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.frcdmp: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd 4096wat_oct && ./Run.pure_wat_oct -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.pure_wat_oct: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd dhfr && ./Run.dhfr && ./Run.dhfr prmtop_an -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dhfr: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed 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 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dhfr.noshake: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd dhfr && ./Run.dhfr.min -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dhfr.min: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd dhfr && ./Run.dhfr.min_prcg -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dhfr.min_prcg: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd dhfr && ./Run.dhfr.lmodxmin -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dhfr.lmodxmin: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd ff14ipq && ./Run.ff14ipq -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ff14ipq: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd variable_14 && ./Run.variable_14_ntb1 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.variable_14_ntb1: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd gact_ips && ./Run.ips -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ips: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd gact_ips && ./Run.ipsnve -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ipsnve: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd gact_ips && ./Run.ips_dfft -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ips_dfft: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd gact_ips && ./Run.ips_vacuum -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ips_vacuum: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd polarizable_water && ./Run.pol_wat -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.pol_wat: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd ubiquitin && ./Run.ubiquitin -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ubiquitin: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd dna_pol && ./Run.dna_pol -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dna_pol: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd trx && ./Run.trx -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.trx: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd trx && ./Run.trx.cpln -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.trx.cpln: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd rdc && ./Run.dip -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dip: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd rdc && ./Run.csa -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.csa: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd rdc && ./Run.csa_min -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.csa_min: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd pcsa && ./Run.dip -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dip: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd pcsa && ./Run.csa -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.csa: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd pcsa && ./Run.csa2 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.csa2: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd pcsa && ./Run.csa_min -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.csa_min: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd tgtmd/change_target && ./Run.tgtmd SANDER: Targeted MD with changing target -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.tgtmd: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed 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 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.tgtmd: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd tgtmd/change_target.ntr && ./Run.tgtmd SANDER: Targeted MD with changing target and restraints DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting (Max = 2) ============================================================ cd tgtmd/conserve_ene && ./Run.tgtmd SANDER: Targeted MD energy conservation test -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.tgtmd: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd tgtmd/minimize && ./Run.tgtmin SANDER: Targeted minimization -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.tgtmin: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd tgtmd/PME && ./Run.tgtPME SANDER: Targeted MD with PME -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.tgtPME: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed 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. -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.mtmdtest: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd trajene && ./Run.trajene -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.trajene: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd trajene_box && ./Run.trajene DO_PARALLEL set to mpirun -np 4 This test cannot be run with more than 1 processor, exiting. ============================================================ cd trajene_netcdf && ./Run.trajene /home/manojiids/amber14/include/netcdf.mod -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.trajene: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd alp && ./Run.alp -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.alp: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd umbrella && ./Run.umbrella -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.umbrella: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd noesy && ./Run.noesy -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.noesy: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd jar && ./Run.jarz -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.jarz: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed 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. DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting (Max = 2) ============================================================ 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. DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting (Max = 2) ============================================================ cd iwrap2 && ./Run.iwrap2 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.iwrap2: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd idecomp1 && ./run_idecomp1.sh -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./run_idecomp1.sh: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd idecomp4 && ./run_idecomp4.sh -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./run_idecomp4.sh: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd bintraj && ./Run.bintraj /home/manojiids/amber14/include/netcdf.mod -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.bintraj: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd netcdf && make -k test OPT=/home/manojiids/amber14/include/netcdf.mod make[4]: Entering directory '/home/manojiids/amber14/test/netcdf' Netcdf MD Restart Write Test -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./runmd.sh: Program error Makefile:6: recipe for target 'mdrstwrite' failed make[4]: [mdrstwrite] Error 1 (ignored) Netcdf Minimization Restart Write Test -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./runmin.sh: Program error Makefile:9: recipe for target 'minrstwrite' failed make[4]: [minrstwrite] Error 1 (ignored) Restrained MD with netcdf Restart Reference Coords Test -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./runmd.sh: Program error Makefile:12: recipe for target 'ncrefmd' failed make[4]: [ncrefmd] Error 1 (ignored) Netcdf MD restart read test, ntx=5 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./runmd.sh: Program error Makefile:15: recipe for target 'ntx5' failed make[4]: [ntx5] Error 1 (ignored) Netcdf MD restart read test, ntx=1 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./runmd.sh: Program error Makefile:18: recipe for target 'ntx1' failed make[4]: [ntx1] Error 1 (ignored) make[4]: Leaving directory '/home/manojiids/amber14/test/netcdf' cd csurften && ./Run.csurften_z-dir -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.csurften_z-dir: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) cd csurften && ./Run.csurften_z-dir_npt_3 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.csurften_z-dir_npt_3: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed 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 && make all make[4]: Entering directory '/home/manojiids/amber14/test/nmropt' cd gb/angle && ./Run.nmropt_1angle_gb -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmropt_1angle_gb: Program error Makefile:13: recipe for target 'pmemd_compat_gb' failed make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/distance && ./Run.dist_gb -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dist_gb: Program error Makefile:13: recipe for target 'pmemd_compat_gb' failed make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/distance_COM && ./Run.distCOM_gb -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.distCOM_gb: Program error Makefile:13: recipe for target 'pmemd_compat_gb' failed make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/jar_distance && ./Run.jar_gb -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.jar_gb: Program error Makefile:13: recipe for target 'pmemd_compat_gb' failed make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/jar_distance_COM && ./Run.jar_gb -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.jar_gb: Program error Makefile:13: recipe for target 'pmemd_compat_gb' failed make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/jar_torsion && ./Run.jar_torsion -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.jar_torsion: Program error Makefile:13: recipe for target 'pmemd_compat_gb' failed make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/nmropt_1_torsion && ./Run.nmropt_1_torsion -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmropt_1_torsion: Program error Makefile:13: recipe for target 'pmemd_compat_gb' failed make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/tautp && ./Run.nmropt_1tautp_gb -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmropt_1tautp_gb: Program error Makefile:13: recipe for target 'pmemd_compat_gb' failed make[4]: [pmemd_compat_gb] Error 1 (ignored) cd gb/temp && ./Run.nmropt_1temp_gb -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmropt_1temp_gb: Program error Makefile:13: recipe for target 'pmemd_compat_gb' failed make[4]: [pmemd_compat_gb] Error 1 (ignored) cd pme/angle && ./Run.nmropt_1angle_pbc -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmropt_1angle_pbc: Program error Makefile:33: recipe for target 'pmemd_compat_pme' failed make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/distance && ./Run.dist_pbc -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dist_pbc: Program error Makefile:33: recipe for target 'pmemd_compat_pme' failed make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/distance_COM && ./Run.distCOM_pbc -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.distCOM_pbc: Program error Makefile:33: recipe for target 'pmemd_compat_pme' failed make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/jar_torsion && ./Run.jar_torsion -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.jar_torsion: Program error Makefile:33: recipe for target 'pmemd_compat_pme' failed make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/jar_distance && ./Run.jar_pbc -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.jar_pbc: Program error Makefile:33: recipe for target 'pmemd_compat_pme' failed make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/jar_distance_COM && ./Run.jar_pbc -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.jar_pbc: Program error Makefile:33: recipe for target 'pmemd_compat_pme' failed make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/nmropt_1_torsion && ./Run.nmropt_1_torsion -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmropt_1_torsion: Program error Makefile:33: recipe for target 'pmemd_compat_pme' failed make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/tautp && ./Run.nmropt_1tautp_pbc -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmropt_1tautp_pbc: Program error Makefile:33: recipe for target 'pmemd_compat_pme' failed make[4]: [pmemd_compat_pme] Error 1 (ignored) cd pme/temp && ./Run.nmropt_1temp_pbc -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmropt_1temp_pbc: Program error Makefile:33: recipe for target 'pmemd_compat_pme' failed make[4]: [pmemd_compat_pme] Error 1 (ignored) cd gb/2xangle && ./Run.nmropt_1_2xangle_gb -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmropt_1_2xangle_gb: Program error Makefile:24: recipe for target 'pmemd_incompat_gb' failed make[4]: [pmemd_incompat_gb] Error 1 (ignored) cd gb/jar_comtorsion && ./Run.jar_comtorsion -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.jar_comtorsion: Program error Makefile:24: recipe for target 'pmemd_incompat_gb' failed make[4]: [pmemd_incompat_gb] Error 1 (ignored) cd gb/jar_lcod && ./Run.lcod_jar -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.lcod_jar: Program error Makefile:24: recipe for target 'pmemd_incompat_gb' failed make[4]: [pmemd_incompat_gb] Error 1 (ignored) cd gb/jar_lcod_dist && ./Run.jar_lcod -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.jar_lcod: Program error Makefile:24: recipe for target 'pmemd_incompat_gb' failed make[4]: [pmemd_incompat_gb] Error 1 (ignored) cd gb/lcod && ./Run.lcod -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.lcod: Program error Makefile:24: recipe for target 'pmemd_incompat_gb' failed make[4]: [pmemd_incompat_gb] Error 1 (ignored) cd gb/lcod_com && ./Run.lcod_com -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.lcod_com: Program error Makefile:24: recipe for target 'pmemd_incompat_gb' failed make[4]: [pmemd_incompat_gb] Error 1 (ignored) cd gb/nmropt_1_2xtorsion && ./Run.nmropt_1_2xtorsion -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmropt_1_2xtorsion: Program error Makefile:24: recipe for target 'pmemd_incompat_gb' failed make[4]: [pmemd_incompat_gb] Error 1 (ignored) cd pme/2xangle && ./Run.nmropt_1_2xangle_pbc -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmropt_1_2xangle_pbc: Program error Makefile:44: recipe for target 'pmemd_incompat_pme' failed make[4]: [pmemd_incompat_pme] Error 1 (ignored) cd pme/jar_comtorsion && ./Run.jar_comtorsion -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.jar_comtorsion: Program error Makefile:44: recipe for target 'pmemd_incompat_pme' failed make[4]: [pmemd_incompat_pme] Error 1 (ignored) cd pme/jar_lcod && ./Run.jar_lcod -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.jar_lcod: Program error Makefile:44: recipe for target 'pmemd_incompat_pme' failed make[4]: [pmemd_incompat_pme] Error 1 (ignored) cd pme/jar_lcod_dist && ./Run.lcod_dist -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.lcod_dist: Program error Makefile:44: recipe for target 'pmemd_incompat_pme' failed make[4]: [pmemd_incompat_pme] Error 1 (ignored) cd pme/lcod && ./Run.lcod_pme -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.lcod_pme: Program error Makefile:44: recipe for target 'pmemd_incompat_pme' failed make[4]: [pmemd_incompat_pme] Error 1 (ignored) cd pme/lcod_com && ./Run.lcod_com -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.lcod_com: Program error Makefile:44: recipe for target 'pmemd_incompat_pme' failed make[4]: [pmemd_incompat_pme] Error 1 (ignored) cd pme/nmropt_1_2xtorsion && ./Run.nmropt_1_2xtorsion -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmropt_1_2xtorsion: Program error Makefile:44: recipe for target 'pmemd_incompat_pme' failed make[4]: [pmemd_incompat_pme] Error 1 (ignored) make[4]: Leaving directory '/home/manojiids/amber14/test/nmropt' cd lj_12-6-4 && ./Run.12-6-4 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.12-6-4: Program error Makefile:106: recipe for target 'test.sander.BASIC' failed make[3]: [test.sander.BASIC] Error 1 (ignored) make[3]: Leaving directory '/home/manojiids/amber14/test' export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd 4096wat && ./Run.column_fft -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.column_fft: Program error Makefile:180: recipe for target 'test.sander.BASIC.MPI' failed make[2]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd jar_multi && ./Run.jarz -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.jarz: Program error Makefile:180: recipe for target 'test.sander.BASIC.MPI' failed make[2]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd ti_eth2meth_gas && ./Run.test1 DO_PARALLEL set to mpirun -np 4 number of processors for this test > 2, exiting... ============================================================ export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd ti_eth2meth_gas && ./Run.test2 DO_PARALLEL set to mpirun -np 4 number of processors for this test > 2, exiting... ============================================================ export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd ti_ggcc && ./Run.test1 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.test1: Program error Makefile:180: recipe for target 'test.sander.BASIC.MPI' failed make[2]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd ti_ggcc && ./Run.test2 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.test2: Program error Makefile:180: recipe for target 'test.sander.BASIC.MPI' failed make[2]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; make -k test.sander.GB make[3]: Entering directory '/home/manojiids/amber14/test' cd gb_rna && ./Run.gbrna -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gbrna: Program error Makefile:189: recipe for target 'test.sander.GB' failed make[3]: [test.sander.GB] Error 1 (ignored) cd gb_rna && ./Run.gbrna.min -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gbrna.min: Program error Makefile:189: recipe for target 'test.sander.GB' failed make[3]: [test.sander.GB] Error 1 (ignored) cd gb_rna && ./Run.gbrna.ln -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gbrna.ln: Program error Makefile:189: recipe for target 'test.sander.GB' failed make[3]: [test.sander.GB] Error 1 (ignored) cd gb_rna && ./Run.gbrna.ips -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gbrna.ips: Program error Makefile:189: recipe for target 'test.sander.GB' failed make[3]: [test.sander.GB] Error 1 (ignored) cd gbsa_xfin && ./Run.gbsa -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gbsa: Program error Makefile:189: recipe for target 'test.sander.GB' failed make[3]: [test.sander.GB] Error 1 (ignored) cd circ_dna && ./Run.circdna -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.circdna: Program error Makefile:189: recipe for target 'test.sander.GB' failed make[3]: [test.sander.GB] Error 1 (ignored) cd gb2_trx && ./Run.trxox -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.trxox: Program error Makefile:189: recipe for target 'test.sander.GB' failed make[3]: [test.sander.GB] Error 1 (ignored) cd gb7_trx && ./Run.trxox && ./Run.trxox prmtop_an -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.trxox: Program error Makefile:189: recipe for target 'test.sander.GB' failed make[3]: [test.sander.GB] Error 1 (ignored) cd gb7_trx && ./Run.trxox_md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.trxox_md: Program error Makefile:189: recipe for target 'test.sander.GB' failed make[3]: [test.sander.GB] Error 1 (ignored) cd gb8_trx && ./Run.trxox -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.trxox: Program error Makefile:189: recipe for target 'test.sander.GB' failed make[3]: [test.sander.GB] Error 1 (ignored) cd gb8_trx && ./Run.trxox_md && ./Run.trxox_md prmtop_an -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.trxox_md: Program error Makefile:189: recipe for target 'test.sander.GB' failed make[3]: [test.sander.GB] Error 1 (ignored) cd gbneck2nu_test && ./Run.1hji_md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1hji_md: Program error Makefile:189: recipe for target 'test.sander.GB' failed make[3]: [test.sander.GB] Error 1 (ignored) cd alpb_trx && ./Run.trxox -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.trxox: Program error Makefile:189: recipe for target 'test.sander.GB' failed make[3]: [test.sander.GB] Error 1 (ignored) cd gb1_cox2 && ./Run.cox2 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.cox2: Program error Makefile:189: recipe for target 'test.sander.GB' failed make[3]: [test.sander.GB] Error 1 (ignored) make[3]: Leaving directory '/home/manojiids/amber14/test' export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd rem_gb_2rep && ./Run.rem -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.rem: Program error Makefile:702: recipe for target 'test.sander.REM' failed make[2]: [test.sander.REM] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd rem_gb_4rep && ./Run.rem -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.rem: 22: [: -ne: unexpected operator -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.rem: Program error Makefile:702: recipe for target 'test.sander.REM' failed make[2]: [test.sander.REM] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd rxsgld_4rep && ./Run.rxsgld -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.rxsgld: 26: [: -ne: unexpected operator -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.rxsgld: Program error Makefile:702: recipe for target 'test.sander.REM' failed make[2]: [test.sander.REM] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd rem_wat && ./Run.rem -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.rem: Program error Makefile:702: recipe for target 'test.sander.REM' failed make[2]: [test.sander.REM] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd rem_hybrid && ./Run.rem -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- possible FAILURE: file rem.log does not exist. ============================================================== possible FAILURE: file rem.out.000 does not exist. ============================================================== /bin/rm: No match. export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd h_rem && ./Run.rem -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.rem: 22: [: -ne: unexpected operator -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.rem: Program error Makefile:702: recipe for target 'test.sander.REM' failed make[2]: [test.sander.REM] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd multid_remd && ./Run.multirem -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.multirem: 22: [: -ne: unexpected operator -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.multirem: Program error Makefile:702: recipe for target 'test.sander.REM' failed make[2]: [test.sander.REM] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd sodium && ./Run.sodium -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.sodium: Program error Makefile:278: recipe for target 'test.sander.TI' failed make[2]: [test.sander.TI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd pheMTI && ./Run.0 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.0: Program error Makefile:278: recipe for target 'test.sander.TI' failed make[2]: [test.sander.TI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd pheMTI && ./Run.1 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1: Program error Makefile:278: recipe for target 'test.sander.TI' failed make[2]: [test.sander.TI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd pheMTI && ./Run.lambda0 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.lambda0: Program error Makefile:278: recipe for target 'test.sander.TI' failed make[2]: [test.sander.TI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd pheMTI && ./Run.lambda1 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.lambda1: Program error Makefile:278: recipe for target 'test.sander.TI' failed make[2]: [test.sander.TI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd campTI && ./Run.campTI -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.campTI: Program error Makefile:278: recipe for target 'test.sander.TI' failed make[2]: [test.sander.TI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd softcore && ./Run_sc Running the Softcore potential tests ============================================================== Minimization test DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ Protein-Ligand complex test -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.complex: Program error ============================================================== Solvation free energy test -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.toluene: Program error -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.toluene2: Program error ============================================================== Dynamic lambda test -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dynlmb: Program error ============================================================== Restrained complex test -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.complex_rst: Program error ============================================================== Using softcore electrostatics -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ethanol: Program error ============================================================== Soft core test suite complete ============================================================== export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd ti_decomp; ./Run.ti_decomp -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ti_decomp: Program error Makefile:278: recipe for target 'test.sander.TI' failed make[2]: [test.sander.TI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd ti_decomp; ./Run.ti_decomp_sc DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ export TESTsanderLES=/home/manojiids/amber14/bin/sander.LES.MPI; make -k test.sander.LES make[3]: Entering directory '/home/manojiids/amber14/test' cd LES_noPME && ./Run.LESmd SANDER: LES MD gas phase -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.LESmd: Program error Makefile:339: recipe for target 'test.sander.LES' failed make[3]: [test.sander.LES] Error 1 (ignored) cd LES_noPME && ./Run.LESmd.rdiel SANDER: LES MD gas phase rdiel -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.LESmd.rdiel: Program error Makefile:339: recipe for target 'test.sander.LES' failed make[3]: [test.sander.LES] Error 1 (ignored) cd LES && ./Run.PME_LES Amber 8 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: -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.PME_LES: Program error Makefile:339: recipe for target 'test.sander.LES' failed make[3]: [test.sander.LES] Error 1 (ignored) cd LES_CUT && ./Run.LES Amber 10 SANDER.LES test, no PME -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.LES: Program error Makefile:339: recipe for target 'test.sander.LES' failed make[3]: [test.sander.LES] Error 1 (ignored) cd LES_TEMP && ./Run.2temp SANDER: LES T coupling -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.2temp: Program error Makefile:339: recipe for target 'test.sander.LES' failed make[3]: [test.sander.LES] Error 1 (ignored) cd LES_GB && ./Run.LES SANDER: LES+GB 1: GB/LES GB1 diffcoords -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.LES: Program error Makefile:339: recipe for target 'test.sander.LES' failed make[3]: [test.sander.LES] Error 1 (ignored) make[3]: Leaving directory '/home/manojiids/amber14/test' cd neb-testcases/neb_gb_partial && ./Run.neb_gb_partial -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.neb_gb_partial: Program error Makefile:1239: recipe for target 'test.neb' failed make[2]: [test.neb] Error 1 (ignored) cd neb-testcases/neb_gb_full && ./Run.neb_gb_full -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.neb_gb_full: Program error Makefile:1239: recipe for target 'test.neb' failed make[2]: [test.neb] Error 1 (ignored) cd neb-testcases/neb_explicit && ./Run.neb_explicit -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.neb_explicit: Program error Makefile:1239: recipe for target 'test.neb' failed make[2]: [test.neb] Error 1 (ignored) cd ncsu && ./run-parallel.sh >>>>>>> doing 'abmd_ANALYSIS' >>>>>>> doing 'abmd_FLOODING' >>>>>>> doing 'abmd_UMBRELLA' >>>>>>> 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' -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- possible FAILURE: file mdout does not exist. ============================================================== possible FAILURE: file work.txt does not exist. ============================================================== >>>>>>> doing 'bbmd' >>>>>>> doing 'abremd' >>>>>>> doing 'mwabmd' >>>>>>> doing 'premd' possible FAILURE: file rem.log does not exist. ============================================================== possible FAILURE: file ncsu-pmd.log does not exist. ============================================================== possible FAILURE: file pmd.1.txt does not exist. ============================================================== possible FAILURE: file mdout.1 does not exist. ============================================================== possible FAILURE: file pmd.2.txt does not exist. ============================================================== possible FAILURE: file mdout.2 does not exist. ============================================================== possible FAILURE: file pmd.3.txt does not exist. ============================================================== possible FAILURE: file mdout.3 does not exist. ============================================================== possible FAILURE: file pmd.4.txt does not exist. ============================================================== possible FAILURE: file mdout.4 does not exist. ============================================================== export TESTsander=/home/manojiids/amber14/bin/sander.MPI; make -k test.sander.CHARMM make[3]: Entering directory '/home/manojiids/amber14/test' cd chamber/md_engine/dhfr && ./Run.dhfr_charmm.min -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dhfr_charmm.min: Program error Makefile:264: recipe for target 'test.sander.CHARMM' failed make[3]: [test.sander.CHARMM] Error 1 (ignored) cd chamber/md_engine/dhfr && ./Run.dhfr_charmm.md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dhfr_charmm.md: Program error Makefile:264: recipe for target 'test.sander.CHARMM' failed make[3]: [test.sander.CHARMM] Error 1 (ignored) cd chamber/md_engine/dhfr_cmap && ./Run.dhfr_charmm.min -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dhfr_charmm.min: Program error Makefile:264: recipe for target 'test.sander.CHARMM' failed make[3]: [test.sander.CHARMM] Error 1 (ignored) cd chamber/md_engine/dhfr_cmap && ./Run.dhfr_charmm.md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dhfr_charmm.md: Program error Makefile:264: recipe for target 'test.sander.CHARMM' failed make[3]: [test.sander.CHARMM] Error 1 (ignored) cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm_noshake.min -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dhfr_cmap_pbc_charmm_noshake.min: Program error Makefile:264: recipe for target 'test.sander.CHARMM' failed make[3]: [test.sander.CHARMM] Error 1 (ignored) cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm_noshake.md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dhfr_cmap_pbc_charmm_noshake.md: Program error Makefile:264: recipe for target 'test.sander.CHARMM' failed make[3]: [test.sander.CHARMM] Error 1 (ignored) cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm.min -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dhfr_cmap_pbc_charmm.min: Program error Makefile:264: recipe for target 'test.sander.CHARMM' failed make[3]: [test.sander.CHARMM] Error 1 (ignored) cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm.md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.dhfr_cmap_pbc_charmm.md: Program error Makefile:264: recipe for target 'test.sander.CHARMM' failed make[3]: [test.sander.CHARMM] Error 1 (ignored) make[3]: Leaving directory '/home/manojiids/amber14/test' export TESTsander=/home/manojiids/amber14/bin/sander.LES.MPI; make -k test.sander.PIMD.partial make[3]: Entering directory '/home/manojiids/amber14/test' 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 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.pimd: Program error Makefile:674: recipe for target 'test.sander.PIMD.partial' failed make[3]: [test.sander.PIMD.partial] Error 1 (ignored) cd PIMD/part_nmpimd_helium && ./Run.nmpimd -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmpimd: Program error Makefile:674: recipe for target 'test.sander.PIMD.partial' failed make[3]: [test.sander.PIMD.partial] Error 1 (ignored) cd PIMD/part_nmpimd_ntp && ./Run.nmpimd -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nmpimd: Program error Makefile:674: recipe for target 'test.sander.PIMD.partial' failed make[3]: [test.sander.PIMD.partial] Error 1 (ignored) cd PIMD/part_pimd_spcfw && ./Run.pimd -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.pimd: Program error Makefile:674: recipe for target 'test.sander.PIMD.partial' failed make[3]: [test.sander.PIMD.partial] Error 1 (ignored) cd PIMD/part_cmd_water/equilib && ./Run.cmdyn -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.cmdyn: Program error Makefile:674: recipe for target 'test.sander.PIMD.partial' failed make[3]: [test.sander.PIMD.partial] Error 1 (ignored) cd PIMD/part_cmd_water/start && ./Run.cmdyn -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.cmdyn: Program error Makefile:674: recipe for target 'test.sander.PIMD.partial' failed make[3]: [test.sander.PIMD.partial] Error 1 (ignored) cd PIMD/part_cmd_water/restart && ./Run.cmdyn -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.cmdyn: Program error Makefile:674: recipe for target 'test.sander.PIMD.partial' failed make[3]: [test.sander.PIMD.partial] Error 1 (ignored) cd PIMD/part_rpmd_water && ./Run.rpmd -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.rpmd: Program error Makefile:674: recipe for target 'test.sander.PIMD.partial' failed 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 make[3]: Leaving directory '/home/manojiids/amber14/test' cd PIMD/full_cmd_water/equilib && ./Run.full_cmd Testing Centroid MD -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.full_cmd: Program error Makefile:690: recipe for target 'test.sander.PIMD.MPI.full' failed make[2]: *** [test.sander.PIMD.MPI.full] Error 1 export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd cnstph/implicit && ./Run.cnstph -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.cnstph: Program error Makefile:254: recipe for target 'test.sander.constph.MPI' failed make[2]: [test.sander.constph.MPI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd cnstph_remd/TempRem && ./Run.cnstph_remd -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.cnstph_remd: 30: [: -ne: unexpected operator -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.cnstph_remd: Program error Makefile:254: recipe for target 'test.sander.constph.MPI' failed make[2]: [test.sander.constph.MPI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd cnstph_remd/pHREM && ./Run.pHremd -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.pHremd: 20: [: -ne: unexpected operator -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.pHremd: Program error Makefile:254: recipe for target 'test.sander.constph.MPI' failed make[2]: [test.sander.constph.MPI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd cnstph_remd/Explicit_pHREM && ./Run.pHremd -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- File "", line 1 print // 4 * 4 == ^ SyntaxError: invalid syntax File "", line 1 print and // 4 >= 2 ^ SyntaxError: invalid syntax -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.pHremd: Program error Makefile:254: recipe for target 'test.sander.constph.MPI' failed make[2]: [test.sander.constph.MPI] Error 1 (ignored) # -if [ -n "" ]; then \ # export TESTsander='/home/manojiids/amber14/bin/sander.MPI' \ # && cd rism3d/ala && ./Run.ala; \ # fi if [ -n "" ]; then \ export TESTsander='/home/manojiids/amber14/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala.mdiis0; \ fi if [ -n "" ]; then \ export TESTsander='/home/manojiids/amber14/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala.mdiis1; \ fi if [ -n "" ]; then \ export TESTsander='/home/manojiids/amber14/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala.resize; \ fi # -if [ -n "" ]; then \ # export TESTsander='/home/manojiids/amber14/bin/sander.MPI' \ # && cd rism3d/ala && ./Run.ala.dist; \ # fi if [ -n "" ]; then \ export TESTsander='/home/manojiids/amber14/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala.dist.xyzv; \ fi if [ -n "" ]; then \ export TESTsander='/home/manojiids/amber14/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala.hnc; \ fi if [ -n "" ]; then \ export TESTsander='/home/manojiids/amber14/bin/sander.MPI' \ && cd rism3d/ala && ./Run.ala.pse1; \ fi export TESTsander='/home/manojiids/amber14/bin/sander.MPI' && cd crg_reloc/water && ./Run.water.min -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.water.min: Program error Makefile:838: recipe for target 'test.sander.crgreloc.MPI' failed make[2]: [test.sander.crgreloc.MPI] Error 1 (ignored) export TESTsander='/home/manojiids/amber14/bin/sander.MPI' && cd crg_reloc/water && ./Run.water.md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.water.md: Program error Makefile:838: recipe for target 'test.sander.crgreloc.MPI' failed make[2]: [test.sander.crgreloc.MPI] Error 1 (ignored) export TESTsander='../../../bin/sander.MPI'; cd amd && make -k test make[3]: Entering directory '/home/manojiids/amber14/test/amd' Testing AMD with PME -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.pme.amd1: Program error Makefile:6: recipe for target 'pme' failed make[3]: [pme] Error 1 (ignored) -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.pme.amd2: Program error Makefile:6: recipe for target 'pme' failed make[3]: [pme] Error 1 (ignored) -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.pme.amd3: Program error Makefile:6: recipe for target 'pme' failed make[3]: [pme] Error 1 (ignored) Testing AMD with IPS -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ips.amd1: Program error Makefile:12: recipe for target 'ips' failed make[3]: [ips] Error 1 (ignored) -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ips.amd2: Program error Makefile:12: recipe for target 'ips' failed make[3]: [ips] Error 1 (ignored) -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ips.amd3: Program error Makefile:12: recipe for target 'ips' failed make[3]: [ips] Error 1 (ignored) Testing AMD with GB -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gb.amd1: Program error Makefile:18: recipe for target 'gb' failed make[3]: [gb] Error 1 (ignored) -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gb.amd2: Program error Makefile:18: recipe for target 'gb' failed make[3]: [gb] Error 1 (ignored) -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gb.amd3: Program error Makefile:18: recipe for target 'gb' failed make[3]: [gb] Error 1 (ignored) make[3]: Leaving directory '/home/manojiids/amber14/test/amd' export TESTsander='../../bin/sander.MPI'; cd scaledMD && make -k test make[3]: Entering directory '/home/manojiids/amber14/test/scaledMD' Testing scaledMD with PME -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.scaledMD: Program error Makefile:6: recipe for target 'pme' failed make[3]: *** [pme] Error 1 make[3]: Target 'test' not remade because of errors. make[3]: Leaving directory '/home/manojiids/amber14/test/scaledMD' Makefile:748: recipe for target 'test.parallel.sander.AMD' failed make[2]: [test.parallel.sander.AMD] Error 2 (ignored) export TESTsander='../../bin/sander.MPI'; cd gact_ips && ./Run.ips_sgld -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ips_sgld: Program error Makefile:943: recipe for target 'test.parallel.sander.sgld' failed make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd gact_ips && ./Run.ips_sgldfp -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ips_sgldfp: Program error Makefile:943: recipe for target 'test.parallel.sander.sgld' failed make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd gact_ips && ./Run.ips_sgldg -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ips_sgldg: Program error Makefile:943: recipe for target 'test.parallel.sander.sgld' failed make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd gact_ips && ./Run.ips_sgmdg -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ips_sgmdg: Program error Makefile:943: recipe for target 'test.parallel.sander.sgld' failed make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd gb_rna && ./Run.gbrna.sgld -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gbrna.sgld: Program error Makefile:943: recipe for target 'test.parallel.sander.sgld' failed make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd gb_rna && ./Run.gbrna.sgldfp -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gbrna.sgldfp: Program error Makefile:943: recipe for target 'test.parallel.sander.sgld' failed make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd gb_rna && ./Run.gbrna.sgldg -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gbrna.sgldg: Program error Makefile:943: recipe for target 'test.parallel.sander.sgld' failed make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd gb_rna && ./Run.gbrna.sgmdg -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.gbrna.sgmdg: Program error Makefile:943: recipe for target 'test.parallel.sander.sgld' failed make[2]: [test.parallel.sander.sgld] Error 1 (ignored) export TESTsander='../../bin/sander.MPI'; cd emap/ && ./Run.emap -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.emap: Program error Makefile:1169: recipe for target 'test.parallel.sander.emap' failed make[2]: [test.parallel.sander.emap] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; make -k test.sander.QMMM make[3]: Entering directory '/home/manojiids/amber14/test' cd qmmm2/xcrd_build_test/ && ./Run.oct_nma_imaged -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.oct_nma_imaged: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/xcrd_build_test/ && ./Run.oct_nma_noimage -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.oct_nma_noimage: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/xcrd_build_test/ && ./Run.ortho_qmewald0 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.ortho_qmewald0: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/xcrd_build_test/ && ./Run.truncoct_qmewald0 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.truncoct_qmewald0: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.crambin: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.crambin_md: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_calc_mulliken -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.crambin_md_calc_mulliken: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.crambin_md_qmgb2: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_alpb -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.crambin_md_qmgb2_alpb: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_aq1 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.crambin_md_qmgb2_aq1: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_aq2 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.crambin_md_qmgb2_aq2: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_saltcon -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.crambin_md_qmgb2_saltcon: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_internal -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_internal: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dspev -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_dspev: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dspevd -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_dspevd: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dspevx -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_dspevx: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyev -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_dsyev: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyevd -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_dsyevd: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyevr -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_dsyevr: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_auto -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_auto: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_min -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_min: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_MD_ntb1: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_aq1 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_MD_ntb1_aq1: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_aq2 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_MD_ntb1_aq2: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_mmcorr -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_MD_ntb1_mmcorr: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_qmewald2 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_MD_ntb1_qmewald2: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb2 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_MD_ntb2: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_aq2_NUMER_DERIV -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_MD_ntb1_aq2_NUMER_DERIV: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_lnk_dis_neg -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_MD_ntb1_lnk_dis_neg: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_lnk_method2 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_MD_ntb1_lnk_method2: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.notimaged: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.notimaged_md: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md_pme -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.notimaged_md_pme: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md_pme_qmewald -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.notimaged_md_pme_qmewald: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md_pme_qmewald_lowmem -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.notimaged_md_pme_qmewald_lowmem: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.imaged -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.imaged: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.imaged_md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.imaged_md: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.img_center -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.img_center: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.img_center_md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.img_center_md: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.img_center_bigqmcut_md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.img_center_bigqmcut_md: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin && ./Run.crambin -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.crambin: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin && ./Run.crambin_md_hot_start -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.crambin_md_hot_start: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin && ./Run.crambin_md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.crambin_md: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.tip3p_cap: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap_md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.tip3p_cap_md: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap_md.shake -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.tip3p_cap_md.shake: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap_md.shake_qmshakeoff -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.tip3p_cap_md.shake_qmshakeoff: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut && ./Run.MG_QM_water_MM -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.MG_QM_water_MM: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut && ./Run.MG_QM_water_MM_MD -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.MG_QM_water_MM_MD: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut_lowmem && ./Run.MG_QM_water_MM_MD -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.MG_QM_water_MM_MD: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut_ADDMM && ./Run.MG_QM_water_MM -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.MG_QM_water_MM: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut_ADDMM && ./Run.MG_QM_water_MM_MD -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.MG_QM_water_MM_MD: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/variable_solvent && ./Run.mg_periodic_vsolv_wat -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.mg_periodic_vsolv_wat: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/variable_solvent && ./Run.1NLN_MD_ntb1_vsolv -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.1NLN_MD_ntb1_vsolv: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/PM3-MMX && ./Run.crambin_md_pm3mmx -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.crambin_md_pm3mmx: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/PM3-MMX2 && ./Run.crambin_md_pm3mmx2 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.crambin_md_pm3mmx2: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_PM6 && ./Run.crambin -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.crambin: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_PM6 && ./Run.crambin_md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.crambin_md: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/PM3-MAIS && ./Run.zundel -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.zundel: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/PM3-MAIS && ./Run.hcl_wat -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.hcl_wat: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MechEm_nma-spcfwbox && ./Run.MechEm_PDDGPM3 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.MechEm_PDDGPM3: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/qmmm_switching_func && ./Run.nma_md_switching -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.nma_md_switching: Program error Makefile:442: recipe for target 'test.sander.QMMM' failed make[3]: [test.sander.QMMM] Error 1 (ignored) make[3]: Leaving directory '/home/manojiids/amber14/test' export TESTsander=/home/manojiids/amber14/bin/sander.MPI; make -k test.sander.DFTB make[3]: Entering directory '/home/manojiids/amber14/test' cd qmmm_DFTB/crambin_DFTB && ./Run.crambin DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_DFTB && ./Run.crambin_md_hot_start DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_DFTB && ./Run.crambin_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_calc_mulliken DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_alpb DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_aq1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_aq2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_saltcon DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb1_link_atoms DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb1_qmewald2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_link_atoms DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_link_atoms_aq1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_link_atoms_aq2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_qmewald2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_telec DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_qmcut && ./Run.MG_QM_water_MM DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_qmcut && ./Run.MG_QM_water_MM_MD DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged_md_pme DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged_md_pme_qmewald DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.imaged DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.imaged_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.img_center DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.img_center_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.img_center_bigqmcut_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_qmcut_lowmem && ./Run.MG_QM_water_MM_MD DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap_md.shake DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap_md.shake_qmshakeoff DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_min DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_lnk_dis_neg DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_lnk_method2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_aq1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_aq1_disp DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_aq2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_qmewald2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/3rd-order/ala8 && ./Run.ala8_PA DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/3rd-order/ala8 && ./Run.ala8_PR DFTB SLKO files not found - Skipping Test... cd qmmm2/MechEm_nma-spcfwbox && ./Run.MechEm_DFTB DFTB SLKO files not found - Skipping Test... make[3]: Leaving directory '/home/manojiids/amber14/test' export TESTsander=/home/manojiids/amber14/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=/home/manojiids/amber14/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=/home/manojiids/amber14/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=/home/manojiids/amber14/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=/home/manojiids/amber14/bin/sander.MPI; cd qmmm_EXTERN/pure_QM_MD_GAUSSIAN_PIMD && ./Run.h2o.hf_sto-3g.pimd GAUSSIAN not installed - Skipping Test... Check your GAUSSIAN installation and make sure that the GAUSSIAN executable is called g09 or g03 export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd qmmm_EXTERN/pure_QM_MD_GAUSSIAN_REMD && ./Run.h2o.hf_sto-3g.remd GAUSSIAN not installed - Skipping Test... Check your GAUSSIAN installation and make sure that the GAUSSIAN executable is called g09 or g03 export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd qmmm_EXTERN/pure_QM_MD_Q-Chem_PIMD && ./Run.h2o.hf_sto-3g.pimd Q-Chem not installed - Skipping Test... Check your Q-Chem installation and make sure that the Q-Chem executable is called qchem export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd qmmm_EXTERN/pure_QM_MD_TeraChem_PIMD && ./Run.h2o.hf_sto-3g.pimd TeraChem not installed - Skipping Test... Check your TeraChem installation and make sure that the TeraChem executable is called terachem export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd qmmm_EXTERN/pure_QM_MD_TeraChem_PIMD && ./Run.h2o.hf_sto-3g.pimd mpi TeraChem not installed - Skipping Test... Check your TeraChem installation and make sure that the TeraChem executable is called terachem export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd qmmm_EXTERN/pure_QM_MD_TeraChem_REMD && ./Run.h2o.hf_sto-3g.remd TeraChem not installed - Skipping Test... Check your TeraChem installation and make sure that the TeraChem executable is called terachem export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd qmmm_EXTERN/pure_QM_MD_TeraChem_REMD && ./Run.h2o.hf_sto-3g.remd mpi TeraChem not installed - Skipping Test... Check your TeraChem installation and make sure that the TeraChem executable is called terachem export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd qmmm_EXTERN/adqmmm_na+28water_TeraChem && ./Run.adqmmm TeraChem not installed - Skipping Test... Check your TeraChem installation and make sure that the TeraChem executable is called terachem export TESTsander=/home/manojiids/amber14/bin/sander.MPI && cd qmmm2/adqmmm_na+28water && ./Run.adqmmm -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.adqmmm: Program error Makefile:599: recipe for target 'test.sander.ADQMMM.MPI' failed make[2]: [test.sander.ADQMMM.MPI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI && cd qmmm2/adqmmm_na+28water && ./Run.adqmmm-calc_wbk2 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.adqmmm-calc_wbk2: Program error Makefile:599: recipe for target 'test.sander.ADQMMM.MPI' failed make[2]: [test.sander.ADQMMM.MPI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI && cd qmmm2/adqmmm_na+28water && ./Run.adqmmm-fixedR -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.adqmmm-fixedR: Program error Makefile:599: recipe for target 'test.sander.ADQMMM.MPI' failed make[2]: [test.sander.ADQMMM.MPI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI && cd qmmm2/adqmmm_h2o-box && ./Run.adqmmm -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.adqmmm: Program error Makefile:599: recipe for target 'test.sander.ADQMMM.MPI' failed make[2]: [test.sander.ADQMMM.MPI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI && cd qmmm2/adqmmm_h2o-box && ./Run.adqmmm-fixedR-calc_wbk2 -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.adqmmm-fixedR-calc_wbk2: Program error Makefile:599: recipe for target 'test.sander.ADQMMM.MPI' failed make[2]: [test.sander.ADQMMM.MPI] Error 1 (ignored) export TESTsander=/home/manojiids/amber14/bin/sander.MPI; make -k test.sander.ABFQMMM make[3]: Entering directory '/home/manojiids/amber14/test' cd abfqmmm/abfqmmm_water_sp && ./Run.abfqmmm_water_sp -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.abfqmmm_water_sp: Program error Makefile:606: recipe for target 'test.sander.ABFQMMM' failed make[3]: [test.sander.ABFQMMM] Error 1 (ignored) cd abfqmmm/abfqmmm_water_md && ./Run.abfqmmm_water_md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.abfqmmm_water_md: Program error Makefile:606: recipe for target 'test.sander.ABFQMMM' failed make[3]: [test.sander.ABFQMMM] Error 1 (ignored) cd abfqmmm/abfqmmm_dmpoh_md && ./Run.abfqmmm_dmpoh_md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.abfqmmm_dmpoh_md: Program error Makefile:606: recipe for target 'test.sander.ABFQMMM' failed make[3]: [test.sander.ABFQMMM] Error 1 (ignored) cd abfqmmm/abfqmmm_lysozyme_md && ./Run.abfqmmm_lysozyme_md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.abfqmmm_lysozyme_md: Program error Makefile:606: recipe for target 'test.sander.ABFQMMM' failed make[3]: [test.sander.ABFQMMM] Error 1 (ignored) cd abfqmmm/adqmmm_water_md && ./Run.adqmmm_water_md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.adqmmm_water_md: Program error Makefile:606: recipe for target 'test.sander.ABFQMMM' failed make[3]: [test.sander.ABFQMMM] Error 1 (ignored) cd abfqmmm/hotspot_water_md && ./Run.hotspot_water_md -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./Run.hotspot_water_md: Program error Makefile:606: recipe for target 'test.sander.ABFQMMM' failed make[3]: [test.sander.ABFQMMM] Error 1 (ignored) make[3]: Leaving directory '/home/manojiids/amber14/test' cd evb/malon_bond_umb_GAFF && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_GAFF_MORSIFY && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_GAFF_MORSIFY_XVDW && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_nmpimd_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_pimd_ld_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_pimd_nhc_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH_pimd_ld_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH_pimd_nhc_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH_nmpimd_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH_pimd_ld_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH_pimd_nhc_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH_nmpimd_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_emap_GAFF_MORSIFY && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_emap_GAFF_MORSIFY_XVDW && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_dg_UFF_3DG && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_dg_UFF_3DG_nmpimd_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_dg_UFF_3DG_pimd_ld_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_dg_UFF_3DG_pimd_nhc_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_dg_UFF_3DG_pimd_nhc_full_TI-MASS && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbond_umb_dg_UFF_3DG_pimd_nhc_full_TI-MASS && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_dg_UFF_3DG_qi_full_2D-PMF && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_dg_UFF_3DG_qi_full_corrF && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_3DG && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_9DG && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_9DG_pimd_ld_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_9DG_pimd_nhc_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_9DG_nmpimd_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_9DG_nmpimd_full_TST-freqf && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ export TESTsander=/home/manojiids/amber14/bin/sander.MPI; cd sebomd/DC/water32 && ./min.csh && ./md.csh -------------------------------------------------------------------------- mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. -------------------------------------------------------------------------- ./min.csh: Program error Makefile:247: recipe for target 'test.parallel.sander.SEBOMD' failed 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 4 ./Run.emil: Program error Makefile:1116: recipe for target 'test.parallel.emil' failed 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 4 ./Run.emil: Program error Makefile:1116: recipe for target 'test.parallel.emil' failed make[2]: [test.parallel.emil] Error 1 (ignored) make[2]: Target 'test.parallel.at' not remade because of errors. make[2]: Leaving directory '/home/manojiids/amber14/test' make[2]: Entering directory '/home/manojiids/amber14/AmberTools/test' Finished test suite for AmberTools at Thu Jun 30 22:54:48 IST 2016. make[2]: Leaving directory '/home/manojiids/amber14/AmberTools/test' 4 file comparisons passed 19 file comparisons failed 281 tests experienced errors Test log file saved as /home/manojiids/amber14/logs/test_at_parallel/2016-06-30_22-54-21.log No test diffs to save!