(base) sks@HP-Z640-Workstation:~/Desktop/SUCHETANA/amber20$ make test.cuda.serial (cd AmberTools/test && make test.cuda.serial) make[1]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/test' ./test_at_cuda.sh make[2]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/test' ./test_at_clean.sh cd antechamber && make -k clean make[3]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/test/antechamber' Cleaning all antechamber test subdirectories: find . -name "*.dif" -print0 | xargs -0 /bin/rm -f /bin/rm -f \ ash/antechamber.out \ ash/sqm.in \ ash/sqm.out \ ash/sqm.pdb \ bondtype/antechamber.out \ c60/antechamber.out \ charmm/antechamber.out \ fluorescein/antechamber.out \ fluorescein/sqm.in \ fluorescein/sqm.out \ fpph/antechamber.out \ guanine_amber/antechamber.out \ guanine_amber/sqm.in \ guanine_amber/sqm.out \ guanine_amber/sqm.pdb \ residuegen/ala_conf1.esp \ residuegen/ala_conf2.esp \ residuegen/ANTECHAMBER_AC.AC \ residuegen/ANTECHAMBER_AC.AC0 \ residuegen/ANTECHAMBER_BOND_TYPE.AC \ residuegen/ANTECHAMBER_BOND_TYPE.AC0 \ residuegen/antechamber.out \ residuegen/ATOMTYPE.INF \ residuegen/esout \ residuegen/espgen.out \ residuegen/NEWPDB.PDB \ residuegen/PREP.INF \ residuegen/punch \ residuegen/QIN \ residuegen/qout \ residuegen/RESIDUE_GEN_MAINCHAIN.DAT \ residuegen/RESIDUE_GEN_RESP.INPUT1 \ residuegen/RESIDUE_GEN_RESP.INPUT2 \ residuegen/RESIDUE_GEN_RESP.OUTPUT1 \ residuegen/RESIDUE_GEN_RESP.OUTPUT2 \ residuegen/RESIDUE_GEN_RESPGEN.DAT \ residuegen/RESIDUE_GEN.AC \ residuegen/residuegen.out \ sustiva/antechamber.out \ sustiva/leap.log \ sustiva/prmtop \ sustiva/sqm.in \ sustiva/sqm.out \ tp/antechamber.out \ tp/sqm.out make[3]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/test/antechamber' cd mmpbsa_py && make -k clean make[3]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/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 cd 12_Membrane_Channel && /bin/rm -f _MMPBSA_* mmpbsa.* FINAL_*_MMPBSA.dat *.dif *.csv make[3]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/test/mmpbsa_py' cd ../src/mm_pbsa/Examples && ./Run.mmpbsa.clean cd ../src/FEW/examples/test && ./Run.few.clean cd ../src/cpptraj/test && make -k clean make[3]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/src/cpptraj/test' Cleaning all test directories: make test.complete test.libcpptraj OPT=clean make[4]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/src/cpptraj/test' make[5]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/src/cpptraj/test' make[5]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/src/cpptraj/test' make[4]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/src/cpptraj/test' make[3]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/src/cpptraj/test' cd leap && make -k clean make[3]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/test/leap' Cleaning all test directories: (find . -name 'leap.log' -o -name 'leap.out' | \ while read dif ;\ do \ rm -f $dif ;\ done ;\ ) /bin/rm -f x.lib lib94.out ions94.log ff94_prm.out ff94_prm.log ff94.log make test.params OPT=clean make[4]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/test/leap' make[4]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/test/leap' make[3]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/test/leap' 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 pbsa_cuda_cg && ./test.sh diffing mdout.1a93_B.p22.min_bc2.save with mdout.1a93_B.p22.min_bc2 possible FAILURE: (ignored) check mdout.1a93_B.p22.min_bc2.dif ============================================================== diffing mdout.1a93_B.p22.min_bc5.save with mdout.1a93_B.p22.min_bc5 possible FAILURE: (ignored) check mdout.1a93_B.p22.min_bc5.dif ============================================================== diffing mdout.1a93_B.p22.min_bc10.save with mdout.1a93_B.p22.min_bc10 possible FAILURE: (ignored) check mdout.1a93_B.p22.min_bc10.dif ============================================================== cd pbsa_cuda_mg && ./test.sh Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0x7f22acb2832a #1 0x7f22acb27503 #2 0x7f22ac1b9f1f #3 0x563bf50d7b11 #4 0x563bf4f96ef4 #5 0x563bf4f84ff3 #6 0x563bf4f6b5a5 #7 0x563bf4f5bb92 #8 0x563bf4f5b50e #9 0x563bf4f48bb8 #10 0x563bf4f4ab8f #11 0x563bf4f4abdb #12 0x7f22ac19cb96 #13 0x563bf4f45129 #14 0xffffffffffffffff Segmentation fault (core dumped) ./Run.testCase.min: Program error Makefile:100: recipe for target 'test.pbsa.cuda' failed make[2]: *** [test.pbsa.cuda] Error 1 cd ../src/cpptraj/test && make -e OPT=cuda -k test make[3]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/src/cpptraj/test' make test.complete summary make[4]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/src/cpptraj/test' Error: No CUDA-capable devices found. Error: Could not execute '/home/sks/Desktop/SUCHETANA/amber20///bin/cpptraj.cuda --defines' Makefile:633: recipe for target 'test.complete' failed make[4]: *** [test.complete] Error 1 Error: No CUDA-capable devices found. Error: Could not execute '/home/sks/Desktop/SUCHETANA/amber20///bin/cpptraj.cuda --defines' Makefile:641: recipe for target 'summary' failed make[4]: *** [summary] Error 1 make[4]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/src/cpptraj/test' Makefile:618: recipe for target 'test.all' failed make[3]: *** [test.all] Error 2 make[3]: Target 'test' not remade because of errors. make[3]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/src/cpptraj/test' Makefile:139: recipe for target 'test.cpptraj.cuda' failed make[2]: *** [test.cpptraj.cuda] Error 2 cd mdgx/Peptides && ./Test.peptides /home/sks/Desktop/SUCHETANA/amber20///bin/mdgx.cuda cuda MDGX set to /home/sks/Desktop/SUCHETANA/amber20///bin/mdgx.cuda Referencing results with extension cuda diffing energy_mts.cuda.dat.save with energy_mts.dat PASSED ============================================================== diffing kine_mts.cuda.dat.save with kine_mts.dat PASSED ============================================================== diffing bond_mts.cuda.dat.save with bond_mts.dat PASSED ============================================================== diffing angl_mts.cuda.dat.save with angl_mts.dat PASSED ============================================================== diffing dihe_mts.cuda.dat.save with dihe_mts.dat PASSED ============================================================== diffing elec_mts.cuda.dat.save with elec_mts.dat PASSED ============================================================== diffing vdw_mts.cuda.dat.save with vdw_mts.dat PASSED ============================================================== diffing solv_mts.cuda.dat.save with solv_mts.dat PASSED ============================================================== diffing energy_rtt.cuda.dat.save with energy_rtt.dat PASSED ============================================================== diffing solv_igb1.cuda.dat.save with solv_igb1.dat PASSED ============================================================== diffing solv_igb2.cuda.dat.save with solv_igb2.dat PASSED ============================================================== diffing solv_igb5.cuda.dat.save with solv_igb5.dat PASSED ============================================================== diffing solv_igb6.cuda.dat.save with solv_igb6.dat PASSED ============================================================== diffing solv_igb7.cuda.dat.save with solv_igb7.dat PASSED ============================================================== make[2]: Target 'test.cuda.serial2' not remade because of errors. make[2]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/test' make[2]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/test' Finished test suite for AmberTools at Fri Jul 3 09:59:43 IST 2020. make[2]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/test' 14 file comparisons passed 3 file comparisons failed (3 of which can be ignored) 1 tests experienced errors Test log file saved as /home/sks/Desktop/SUCHETANA/amber20///logs/test_at_cuda/2020-07-03_09-59-28.log Test diffs file saved as /home/sks/Desktop/SUCHETANA/amber20///logs/test_at_cuda/2020-07-03_09-59-28.diff Makefile:20: recipe for target 'test.cuda.serial' failed make[1]: *** [test.cuda.serial] Error 1 make[1]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/AmberTools/test' Makefile:36: recipe for target 'test.cuda.serial' failed make: [test.cuda.serial] Error 2 (ignored) (cd test && make test.cuda.serial) make[1]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/test' ./test_amber_clean.sh make[2]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/test/cuda/remd' make[3]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/test/cuda/remd' make[3]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/test/cuda/remd' make[2]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/test/cuda/remd' ./test_amber_cuda_serial.sh Using default PREC_MODEL = DPFP make[2]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/test' cd cuda && make -k test.pmemd.cuda PREC_MODEL=DPFP make[3]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/test/cuda' ------------------------------------ Running CUDA Implicit solvent tests. Precision Model = DPFP ------------------------------------ cd gb_ala3/ && ./Run.igb1_ntc1_min DPFP yes cudaGetDeviceCount failed unknown error ./Run.igb1_ntc1_min: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb1_ntc1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest1_ntt0_igb1_ntc1: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest0_ntt0_igb1_ntc1_hotstart DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest0_ntt0_igb1_ntc1_hotstart: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest0_ntt0_igb1_ntc1_coldstart DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest0_ntt0_igb1_ntc1_coldstart: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb1_ntc2 DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest1_ntt0_igb1_ntc2: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb2_ntc1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest1_ntt0_igb2_ntc1: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb2_ntc2 DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest1_ntt0_igb2_ntc2: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest1_ntt0_igb5_ntc1: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb7_ntc2 DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest1_ntt0_igb7_ntc2: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb8_ntc2 DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest1_ntt0_igb8_ntc2: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2 DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest1_ntt0_igb5_ntc2: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_ntr1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest1_ntt0_igb5_ntc2_ntr1: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_saltcon DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest1_ntt0_igb5_ntc2_saltcon: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_rgbmax DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest1_ntt0_igb5_ntc2_rgbmax: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_alpb DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest1_ntt0_igb5_ntc2_alpb: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt1_igb1_ntc2 DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest1_ntt1_igb1_ntc2: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt2_igb1_ntc2 DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest1_ntt2_igb1_ntc2: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt3_igb1_ntc2 DPFP yes cudaGetDeviceCount failed unknown error ./Run.irest1_ntt3_igb1_ntc2: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd nmropt/gb/multi-angle/ && ./Run.nmropt_2angle_gb DPFP yes cudaGetDeviceCount failed unknown error ./Run.nmropt_2angle_gb: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd nmropt/gb/angle_torsion_com/ && ./Run.angdih_gb DPFP yes cudaGetDeviceCount failed unknown error ./Run.angdih_gb: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd chamber/dhfr/ && ./Run.dhfr_charmm.min DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr_charmm.min: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd chamber/dhfr_cmap/ && ./Run.dhfr_charmm.min DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr_charmm.min: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd nucleosome/ && ./Run_min.1 DPFP yes cudaGetDeviceCount failed unknown error ./Run_min.1: Program error Makefile:30: recipe for target 'test.pmemd.cuda.gb.serial' failed make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) --------------------------------------------- Running Extended CUDA Implicit solvent tests. Precision Model = DPFP --------------------------------------------- cd trpcage/ && ./Run_md_trpcage DPFP yes cudaGetDeviceCount failed unknown error ./Run_md_trpcage: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd myoglobin/ && ./Run_md_myoglobin DPFP yes cudaGetDeviceCount failed unknown error ./Run_md_myoglobin: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd myoglobin/ && ./Run_md_myoglobin_igb7 DPFP yes cudaGetDeviceCount failed unknown error ./Run_md_myoglobin_igb7: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd myoglobin/ && ./Run_md_myoglobin_igb8 DPFP yes cudaGetDeviceCount failed unknown error ./Run_md_myoglobin_igb8: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd myoglobin/ && ./Run_md_myoglobin_igb8_gbsa DPFP yes cudaGetDeviceCount failed unknown error ./Run_md_myoglobin_igb8_gbsa: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd myoglobin/ && ./Run_md_myoglobin_igb8_gbsa3 DPFP yes cudaGetDeviceCount failed unknown error ./Run_md_myoglobin_igb8_gbsa3: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd gbsa_xfin/ && ./Run.gbsa3 DPFP yes cudaGetDeviceCount failed unknown error ./Run.gbsa3: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd cnstph/implicit/ && ./Run.cnstph DPFP yes cudaGetDeviceCount failed unknown error ./Run.cnstph: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd cnste/implicit/ && ./Run.cnste DPFP yes cudaGetDeviceCount failed unknown error ./Run.cnste: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd cnstphe/implicit/ && ./Run.cnstphe DPFP yes cudaGetDeviceCount failed unknown error ./Run.cnstphe: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd chamber/dhfr/ && ./Run.dhfr_charmm.md DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr_charmm.md: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd chamber/dhfr_cmap/ && ./Run.dhfr_charmm.md DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr_charmm.md: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nucleosome/ && ./Run_md.1 DPFP yes cudaGetDeviceCount failed unknown error ./Run_md.1: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nucleosome/ && ./Run_md.2 DPFP yes cudaGetDeviceCount failed unknown error ./Run_md.2: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd amd/rna_gb && ./Run.gb.amd1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.gb.amd1: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd amd/rna_gb && ./Run.gb.amd2 DPFP yes cudaGetDeviceCount failed unknown error ./Run.gb.amd2: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd amd/rna_gb && ./Run.gb.amd3 DPFP yes cudaGetDeviceCount failed unknown error ./Run.gb.amd3: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/angle/ && ./Run.nmropt_1angle_gb DPFP yes cudaGetDeviceCount failed unknown error ./Run.nmropt_1angle_gb: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/distance/ && ./Run.dist_gb DPFP yes cudaGetDeviceCount failed unknown error errori: label not found. Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/distance_COM/ && ./Run.distCOM_gb DPFP yes cudaGetDeviceCount failed unknown error ./Run.distCOM_gb: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/distance_COM/ && ./Run.distr6av_gb DPFP yes cudaGetDeviceCount failed unknown error ./Run.distr6av_gb: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/jar_distance_COM/ && ./Run.jar_gb DPFP yes cudaGetDeviceCount failed unknown error ./Run.jar_gb: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/jar_distance/ && ./Run.jar_gb DPFP yes cudaGetDeviceCount failed unknown error ./Run.jar_gb: Program Error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/jar_torsion/ && ./Run.jar_torsion DPFP yes cudaGetDeviceCount failed unknown error ./Run.jar_torsion: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/nmropt_1_torsion/ && ./Run.nmropt_1_torsion DPFP yes cudaGetDeviceCount failed unknown error ./Run.nmropt_1_torsion: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/tautp/ && ./Run.nmropt_1tautp_gb DPFP yes cudaGetDeviceCount failed unknown error ./Run.nmropt_1tautp_gb: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/temp/ && ./Run.nmropt_1temp_gb DPFP yes cudaGetDeviceCount failed unknown error ./Run.nmropt_1temp_gb: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/angle_torsion_com/ && ./Run.angdih_gb DPFP yes cudaGetDeviceCount failed unknown error ./Run.angdih_gb: Program error Makefile:60: recipe for target 'test.pmemd.cuda.gb' failed make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) --------------------------------------------- Running Extended CUDA Explicit solvent tests. Precision Model = DPFP --------------------------------------------- cd 4096wat/ && ./Run.pure_wat DPFP yes cudaGetDeviceCount failed unknown error ./Run.pure_wat: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd 4096wat/ && ./Run.pure_wat_fswitch DPFP yes cudaGetDeviceCount failed unknown error ./Run.pure_wat_fswitch: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd 4096wat/ && ./Run.pure_wat_efield DPFP yes cudaGetDeviceCount failed unknown error ./Run.pure_wat_efield: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd 4096wat_oct/ && ./Run.pure_wat_oct_NVE DPFP yes cudaGetDeviceCount failed unknown error ./Run.pure_wat_oct_NVE: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd 4096wat_oct/ && ./Run.pure_wat_oct_NVT_NTT1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.pure_wat_oct_NVT_NTT1: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd 4096wat_oct/ && ./Run.pure_wat_oct_NPT_NTT1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.pure_wat_oct_NPT_NTT1: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd large_solute_count/ && ./Run.ntb2_ntt1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.ntb2_ntt1: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd jac/ && ./Run.jac DPFP yes cudaGetDeviceCount failed unknown error ./Run.jac: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd dhfr/ && ./Run.dhfr DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd dhfr/ && ./Run.dhfr.ntr1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr.ntr1: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd dhfr/ && ./Run.dhfr.ntb2 DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr.ntb2: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd dhfr/ && ./Run.dhfr.ntb2_ntt1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr.ntb2_ntt1: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd dhfr/ && ./Run.dhfr.ntb2_ntt1_ntr1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr.ntb2_ntt1_ntr1: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd dhfr/ && ./Run.dhfr.noshake DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr.noshake: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd chamber/dhfr_pbc/ && ./Run.dhfr_pbc_charmm_noshake.md DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr_pbc_charmm_noshake.md: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm.md DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr_cmap_pbc_charmm.md: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm_NPT.md DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr_cmap_pbc_charmm_NPT.md: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm_noshake.md DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr_cmap_pbc_charmm_noshake.md: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd ips/ && ./Run.ips DPFP yes cudaGetDeviceCount failed unknown error ./Run.ips: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd amd/dhfr_pme && ./Run.pme.amd1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.pme.amd1: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd amd/dhfr_pme && ./Run.pme.amd2 DPFP yes cudaGetDeviceCount failed unknown error ./Run.pme.amd2: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd amd/dhfr_pme && ./Run.pme.amd3 DPFP yes cudaGetDeviceCount failed unknown error ./Run.pme.amd3: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd amd/gact_ips && ./Run.ips.amd1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.ips.amd1: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd amd/gact_ips && ./Run.ips.amd2 DPFP yes cudaGetDeviceCount failed unknown error ./Run.ips.amd2: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd amd/gact_ips && ./Run.ips.amd3 DPFP yes cudaGetDeviceCount failed unknown error ./Run.ips.amd3: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd scaledMD && ./Run.scaledMD DPFP yes cudaGetDeviceCount failed unknown error ./Run.scaledMD: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/angle/ && ./Run.nmropt_1angle_pbc DPFP yes cudaGetDeviceCount failed unknown error ./Run.nmropt_1angle_pbc: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/distance/ && ./Run.dist_pbc DPFP yes cudaGetDeviceCount failed unknown error ./Run.dist_pbc: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/distance_COM/ && ./Run.distCOM_pbc DPFP yes cudaGetDeviceCount failed unknown error ./Run.distCOM_pbc: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/distance_COM/ && ./Run.multi-distCOM-multi-dist_pbc DPFP yes cudaGetDeviceCount failed unknown error ./Run.multi-distCOM-multi-dist_pbc: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/distance_COM/ && ./Run.multi-distr6av_pbc DPFP yes cudaGetDeviceCount failed unknown error ./Run.multi-distr6av_pbc: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/jar_distance_COM/ && ./Run.jar_pbc DPFP yes cudaGetDeviceCount failed unknown error ./Run.jar_pbc: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/jar_distance/ && ./Run.jar_pbc DPFP yes cudaGetDeviceCount failed unknown error ./Run.jar_pbc: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/jar_torsion/ && ./Run.jar_torsion DPFP yes cudaGetDeviceCount failed unknown error ./Run.jar_torsion: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/nmropt_1_torsion/ && ./Run.nmropt_1_torsion DPFP yes cudaGetDeviceCount failed unknown error ./Run.nmropt_1_torsion: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/angle_torsion_com/ && ./Run.angdihmultCOM DPFP yes cudaGetDeviceCount failed unknown error ./Run.angdihmultCOM: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/tautp/ && ./Run.nmropt_1tautp_pbc DPFP yes cudaGetDeviceCount failed unknown error ./Run.nmropt_1tautp_pbc: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/temp/ && ./Run.nmropt_1temp_pbc DPFP yes cudaGetDeviceCount failed unknown error ./Run.nmropt_1temp_pbc: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip4pew/ && ./Run.tip4pew_box_nvt DPFP yes cudaGetDeviceCount failed unknown error ./Run.tip4pew_box_nvt: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip4pew/ && ./Run.tip4pew_box_npt DPFP yes cudaGetDeviceCount failed unknown error ./Run.tip4pew_box_npt: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip4pew/ && ./Run.tip4pew_oct_nvt DPFP yes cudaGetDeviceCount failed unknown error ./Run.tip4pew_oct_nvt: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip4pew/ && ./Run.tip4pew_oct_npt DPFP yes cudaGetDeviceCount failed unknown error ./Run.tip4pew_oct_npt: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip4pew/ && ./Run.tip4pew_box_npt_mcbar DPFP yes cudaGetDeviceCount failed unknown error ./Run.tip4pew_box_npt_mcbar: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip4pew/ && ./Run.tip4pew_oct_npt_mcbar DPFP yes cudaGetDeviceCount failed unknown error ./Run.tip4pew_oct_npt_mcbar: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip5p/ && ./Run.tip5p_box_nvt DPFP yes cudaGetDeviceCount failed unknown error ./Run.tip5p_box_nvt: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip5p/ && ./Run.tip5p_box_npt DPFP yes cudaGetDeviceCount failed unknown error ./Run.tip5p_box_npt: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip5p/ && ./Run.tip5p_oct_nvt DPFP yes cudaGetDeviceCount failed unknown error ./Run.tip5p_oct_nvt: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip5p/ && ./Run.tip5p_oct_npt DPFP yes cudaGetDeviceCount failed unknown error ./Run.tip5p_oct_npt: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd HMR/ && ./Run.HMR DPFP yes cudaGetDeviceCount failed unknown error ./Run.HMR: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd lipid_npt_tests/ && ./Run_npt_isotropic.lipid14 DPFP yes cudaGetDeviceCount failed unknown error ./Run_npt_isotropic.lipid14: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd lipid_npt_tests/ && ./Run_npt_anisotropic.lipid14 DPFP yes cudaGetDeviceCount failed unknown error ./Run_npt_anisotropic.lipid14: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd lipid_npt_tests/ && ./Run_npt_semiisotropic.lipid14 DPFP yes cudaGetDeviceCount failed unknown error ./Run_npt_semiisotropic.lipid14: Program error Makefile:140: recipe for target 'test.pmemd.cuda.pme' failed make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) ------------------------------------ Running CUDA Explicit solvent tests. Precision Model = DPFP ------------------------------------ cd 4096wat/ && ./Run.vrand DPFP yes cudaGetDeviceCount failed unknown error ./Run.vrand: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd 4096wat_oct/ && ./Run.pure_wat_oct_NVT_NTT2 DPFP yes cudaGetDeviceCount failed unknown error ./Run.pure_wat_oct_NVT_NTT2: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd 4096wat_oct/ && ./Run.pure_wat_oct_NVT_NTT3 DPFP yes cudaGetDeviceCount failed unknown error ./Run.pure_wat_oct_NVT_NTT3: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd dhfr/ && ./Run.dhfr.ntb2_ntt3 DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr.ntb2_ntt3: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd ips/ && ./Run.ips_ntt3 DPFP yes cudaGetDeviceCount failed unknown error ./Run.ips_ntt3: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd npt_ntr_ntt3_oct/ && ./Run.ntp1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.ntp1: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd dhfr/ && ./Run.dhfr.min DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr.min: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd mcwat && ./Run.mcwat DPFP yes cudaGetDeviceCount failed unknown error ./Run.mcwat: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd RAMD && ./Run.ramd DPFP yes cudaGetDeviceCount failed unknown error ./Run.ramd: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd chamber/dhfr_pbc/ && ./Run.dhfr_pbc_charmm_noshake.min DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr_pbc_charmm_noshake.min: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm.min DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr_cmap_pbc_charmm.min: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm_noshake.min DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr_cmap_pbc_charmm_noshake.min: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd cnstph/explicit/ && ./Run.cnstph DPFP yes cudaGetDeviceCount failed unknown error ./Run.cnstph: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd cnste/explicit/ && ./Run.cnste DPFP yes cudaGetDeviceCount failed unknown error ./Run.cnste: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd cnstphe/explicit/ && ./Run.cnstphe DPFP yes cudaGetDeviceCount failed unknown error ./Run.cnstphe: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd nfe/ && ./run-pmemd-serial.sh DPFP yes >>>>>>> doing 'abmd_ANALYSIS' ./run-pmemd.sh: 186: ./run-pmemd.sh: [[: not found diffing save.pmemd/mdout with mdout file ddtmp.mdout is short possible FAILURE: check mdout.dif ============================================================== possible FAILURE: file monitor.txt does not exist. ============================================================== >>>>>>> doing 'abmd_FLOODING' ./run-pmemd.sh: 186: ./run-pmemd.sh: [[: not found diffing save.pmemd/mdout with mdout file ddtmp.mdout is short possible FAILURE: check mdout.dif ============================================================== possible FAILURE: file monitor.txt does not exist. ============================================================== /home/sks/Desktop/SUCHETANA/amber20/bin/ncdump: umbrella.nc: No such file or directory ncgen: - line 1: syntax error, unexpected $end, expecting NETCDF /home/sks/Desktop/SUCHETANA/amber20/bin/ncdump: ncdump.tmp: No such file or directory diffing save.pmemd/umbrella.save.ncdump with umbrella.ncdump file ddtmp.umbrella.ncdump is short possible FAILURE: check umbrella.ncdump.dif ============================================================== /home/sks/Desktop/SUCHETANA/amber20/bin/ncdump: wt_umbrella.nc: No such file or directory ncgen: - line 1: syntax error, unexpected $end, expecting NETCDF /home/sks/Desktop/SUCHETANA/amber20/bin/ncdump: ncdump.tmp: No such file or directory diffing save.pmemd/wt_umbrella.save.ncdump with wt_umbrella.ncdump file ddtmp.wt_umbrella.ncdump is short possible FAILURE: check wt_umbrella.ncdump.dif ============================================================== >>>>>>> doing 'abmd_UMBRELLA' ./run-pmemd.sh: 186: ./run-pmemd.sh: [[: not found diffing save.pmemd/mdout with mdout file ddtmp.mdout is short possible FAILURE: check mdout.dif ============================================================== possible FAILURE: file monitor.txt does not exist. ============================================================== >>>>>>> doing 'smd' ./run-pmemd.sh: 186: ./run-pmemd.sh: [[: not found diffing save.pmemd/mdout with mdout file ddtmp.mdout is short possible FAILURE: check mdout.dif ============================================================== possible FAILURE: file smd.txt does not exist. ============================================================== >>>>>>> doing 'smd2' ./run-pmemd.sh: 186: ./run-pmemd.sh: [[: not found diffing save.pmemd/mdout with mdout file ddtmp.mdout is short possible FAILURE: check mdout.dif ============================================================== possible FAILURE: file work.txt does not exist. ============================================================== >>>>>>> doing 'pmd' ./run-pmemd.sh: 186: ./run-pmemd.sh: [[: not found diffing save.pmemd/mdout with mdout file ddtmp.mdout is short possible FAILURE: check mdout.dif ============================================================== possible FAILURE: file pmd.txt does not exist. ============================================================== cd ff19SB/ && ./Run DPFP yes cudaGetDeviceCount failed unknown error ./Run: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd dhfr/ && ./Run.dhfr_reweight DPFP yes cudaGetDeviceCount failed unknown error ./Run.dhfr_reweight: Program error Makefile:105: recipe for target 'test.pmemd.cuda.pme.serial' failed make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd gamd/rna_gb && ./Run.gb.gamd1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.gb.gamd1: Program error Makefile:95: recipe for target 'test.pmemd.cuda.gb.gamd' failed make[3]: [test.pmemd.cuda.gb.gamd] Error 1 (ignored) cd gamd/rna_gb && ./Run.gb.gamd2 DPFP yes cudaGetDeviceCount failed unknown error ./Run.gb.gamd2: Program error Makefile:95: recipe for target 'test.pmemd.cuda.gb.gamd' failed make[3]: [test.pmemd.cuda.gb.gamd] Error 1 (ignored) cd gamd/rna_gb && ./Run.gb.gamd3 DPFP yes cudaGetDeviceCount failed unknown error ./Run.gb.gamd3: Program error Makefile:95: recipe for target 'test.pmemd.cuda.gb.gamd' failed make[3]: [test.pmemd.cuda.gb.gamd] Error 1 (ignored) cd gamd/dhfr_pme && ./Run.pme.gamd1 DPFP yes cudaGetDeviceCount failed unknown error ./Run.pme.gamd1: Program error Makefile:199: recipe for target 'test.pmemd.cuda.pme.gamd' failed make[3]: [test.pmemd.cuda.pme.gamd] Error 1 (ignored) cd gamd/dhfr_pme && ./Run.pme.gamd2 DPFP yes cudaGetDeviceCount failed unknown error ./Run.pme.gamd2: Program error Makefile:199: recipe for target 'test.pmemd.cuda.pme.gamd' failed make[3]: [test.pmemd.cuda.pme.gamd] Error 1 (ignored) cd gamd/dhfr_pme && ./Run.pme.gamd3 DPFP yes cudaGetDeviceCount failed unknown error ./Run.pme.gamd3: Program error Makefile:199: recipe for target 'test.pmemd.cuda.pme.gamd' failed make[3]: [test.pmemd.cuda.pme.gamd] Error 1 (ignored) ------------------------------------ Running CUDA GTI free energy tests. cd gti/Na/ && ./Run.NVE DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/Na cudaGetDeviceCount failed unknown error ./Run.NVE: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/Na/ && ./Run.NVT_ntt1 DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/Na cudaGetDeviceCount failed unknown error ./Run.NVT_ntt1: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/Na/ && ./Run.NVT_ntt3 DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/Na cudaGetDeviceCount failed unknown error ./Run.NVT_ntt3: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/Na/ && ./Run.NPT_BR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/Na cudaGetDeviceCount failed unknown error ./Run.NPT_BR: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/Na/ && ./Run.NPT_MC DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/Na cudaGetDeviceCount failed unknown error ./Run.NPT_MC: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/Na/ && ./Run.SC_NVE DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/Na cudaGetDeviceCount failed unknown error ./Run.SC_NVE: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/Na/ && ./Run.SC_NVT DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/Na cudaGetDeviceCount failed unknown error ./Run.SC_NVT: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/Na/ && ./Run.SC_NVT_MBAR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/Na cudaGetDeviceCount failed unknown error ./Run.SC_NVT_MBAR: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/ligand/ && ./Run.NVE DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/ligand cudaGetDeviceCount failed unknown error ./Run.NVE: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/ligand/ && ./Run.NVT_ntt1 DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/ligand cudaGetDeviceCount failed unknown error ./Run.NVT_ntt1: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/ligand/ && ./Run.NVT_ntt3 DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/ligand cudaGetDeviceCount failed unknown error ./Run.NVT_ntt3: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/ligand/ && ./Run.NPT_BR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/ligand cudaGetDeviceCount failed unknown error ./Run.NPT_BR: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/ligand/ && ./Run.NPT_MC DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/ligand cudaGetDeviceCount failed unknown error ./Run.NPT_MC: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/ligand/ && ./Run.SC_NVE DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/ligand cudaGetDeviceCount failed unknown error ./Run.SC_NVE: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/ligand/ && ./Run.SC_NVT DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/ligand cudaGetDeviceCount failed unknown error ./Run.SC_NVT: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/ligand/ && ./Run.SC_NVT_MBAR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/ligand cudaGetDeviceCount failed unknown error ./Run.SC_NVT_MBAR: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/complex/ && ./Run.NVE DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/complex cudaGetDeviceCount failed unknown error ./Run.NVE: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/complex/ && ./Run.NVT_ntt1 DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/complex cudaGetDeviceCount failed unknown error ./Run.NVT_ntt1: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/complex/ && ./Run.NVT_ntt3 DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/complex cudaGetDeviceCount failed unknown error ./Run.NVT_ntt3: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/complex/ && ./Run.NPT_BR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/complex cudaGetDeviceCount failed unknown error ./Run.NPT_BR: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/complex/ && ./Run.NPT_MC DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/complex cudaGetDeviceCount failed unknown error ./Run.NPT_MC: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/complex/ && ./Run.SC_NVE DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVE: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/complex/ && ./Run.SC_NVT DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVT: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/AFE_TI/campTI && ./Run.campTI DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/AFE_TI/campTI cudaGetDeviceCount failed unknown error ./Run.campTI: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/AFE_TI/softcore/complex && ./Run.complex DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/AFE_TI/softcore/complex cudaGetDeviceCount failed unknown error ./Run.complex: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/AFE_TI/softcore/electro && ./Run.electro DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/AFE_TI/softcore/electro cudaGetDeviceCount failed unknown error ./Run.electro: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/AFE_TI/softcore/dynlmb && ./Run.dynlmb DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/AFE_TI/softcore/dynlmb cudaGetDeviceCount failed unknown error ./Run.dynlmb: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/AFE_MBAR/campMBAR && ./Run.campMBAR DPFP SCH=222 ./Run.SC_NVT_MBAR SPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/AFE_MBAR/campMBAR cudaGetDeviceCount failed unknown error ./Run.campMBAR: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/AFE_MBAR/softcore/complex && ./Run.complex DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/AFE_MBAR/softcore/complex cudaGetDeviceCount failed unknown error ./Run.complex: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) cd gti/AFE_MBAR/softcore/electro && ./Run.electro DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/AFE_MBAR/softcore/electro cudaGetDeviceCount failed unknown error ./Run.electro: Program error Makefile:240: recipe for target 'test.pmemd.cuda.gti.TI' failed make[3]: [test.pmemd.cuda.gti.TI] Error 1 (ignored) ------------------------------------ Running CUDA GTI NMR Restratin tests. cd gti/NMR_Restraint/SimpleTorsion && CASE=A ./Run DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/NMR_Restraint/SimpleTorsion cudaGetDeviceCount failed unknown error ./Run: Program error Makefile:275: recipe for target 'test.pmemd.cuda.gti.TI_restraint' failed make[3]: [test.pmemd.cuda.gti.TI_restraint] Error 1 (ignored) cd gti/NMR_Restraint/SimpleTorsion && CASE=B ./Run DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/NMR_Restraint/SimpleTorsion cudaGetDeviceCount failed unknown error ./Run: Program error Makefile:275: recipe for target 'test.pmemd.cuda.gti.TI_restraint' failed make[3]: [test.pmemd.cuda.gti.TI_restraint] Error 1 (ignored) cd gti/NMR_Restraint/SimpleTorsion && CASE=C ./Run DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/NMR_Restraint/SimpleTorsion cudaGetDeviceCount failed unknown error ./Run: Program error Makefile:275: recipe for target 'test.pmemd.cuda.gti.TI_restraint' failed make[3]: [test.pmemd.cuda.gti.TI_restraint] Error 1 (ignored) #Begin GTI Tests ------------------------------------ Running CUDA GTI 12-6-4 tests. cd gti/1264/MgMD && ./Run.NVT DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/1264/MgMD cudaGetDeviceCount failed unknown error ./Run.NVT: Program error Makefile:282: recipe for target 'test.pmemd.cuda.gti.1264' failed make[3]: [test.pmemd.cuda.gti.1264] Error 1 (ignored) cd gti/1264/2ionMD && ./Run.NVT DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/1264/2ionMD cudaGetDeviceCount failed unknown error ./Run.NVT: Program error Makefile:282: recipe for target 'test.pmemd.cuda.gti.1264' failed make[3]: [test.pmemd.cuda.gti.1264] Error 1 (ignored) cd gti/1264/Mg2Zn && ./Run.NVT DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/1264/Mg2Zn cudaGetDeviceCount failed unknown error ./Run.NVT: Program error Makefile:282: recipe for target 'test.pmemd.cuda.gti.1264' failed make[3]: [test.pmemd.cuda.gti.1264] Error 1 (ignored) cd gti/1264/SimpleTI && ./Run DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/1264/SimpleTI cudaGetDeviceCount failed unknown error ./Run: Program error Makefile:282: recipe for target 'test.pmemd.cuda.gti.1264' failed make[3]: [test.pmemd.cuda.gti.1264] Error 1 (ignored) #Begin GTI Tests ------------------------------------ Running CUDA GTI BAT tests. cd gti/BAT/Simple && DIR=for ./Run DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/BAT/Simple cudaGetDeviceCount failed unknown error ./Run: Program error Makefile:291: recipe for target 'test.pmemd.cuda.gti.BAT' failed make[3]: [test.pmemd.cuda.gti.BAT] Error 1 (ignored) cd gti/BAT/Simple && DIR=back ./Run DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/BAT/Simple cudaGetDeviceCount failed unknown error ./Run: Program error Makefile:291: recipe for target 'test.pmemd.cuda.gti.BAT' failed make[3]: [test.pmemd.cuda.gti.BAT] Error 1 (ignored) #Begin GTI Tests ------------------------------------ Running CUDA GTI Lambda Scheduling. cd gti/LambdaScheduling/complex/ && SCH=222 ./Run.SC_NVT_MBAR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/LambdaScheduling/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVT_MBAR: Program error Makefile:331: recipe for target 'test.pmemd.cuda.gti.LambdaScheduling' failed make[3]: [test.pmemd.cuda.gti.LambdaScheduling] Error 1 (ignored) cd gti/LambdaScheduling/complex/ && SCH=333 ./Run.SC_NVT_MBAR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/LambdaScheduling/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVT_MBAR: Program error Makefile:331: recipe for target 'test.pmemd.cuda.gti.LambdaScheduling' failed make[3]: [test.pmemd.cuda.gti.LambdaScheduling] Error 1 (ignored) cd gti/LambdaScheduling/complex/ && SCH=444 ./Run.SC_NVT_MBAR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/LambdaScheduling/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVT_MBAR: Program error Makefile:331: recipe for target 'test.pmemd.cuda.gti.LambdaScheduling' failed make[3]: [test.pmemd.cuda.gti.LambdaScheduling] Error 1 (ignored) cd gti/LambdaScheduling/complex/ && SCH=22T ./Run.SC_NVT_MBAR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/LambdaScheduling/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVT_MBAR: Program error Makefile:331: recipe for target 'test.pmemd.cuda.gti.LambdaScheduling' failed make[3]: [test.pmemd.cuda.gti.LambdaScheduling] Error 1 (ignored) #Begin GTI Tests ------------------------------------ Running CUDA GTI free energy SC correction tests. cd gti/SC_Correction/methane_2_methanol/ && SC_CORR=0 ./Run.NVT_ntt3 DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/methane_2_methanol cudaGetDeviceCount failed unknown error ./Run.NVT_ntt3: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/methane_2_methanol/ && SC_CORR=-1 ./Run.NVT_ntt3 DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/methane_2_methanol cudaGetDeviceCount failed unknown error ./Run.NVT_ntt3: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/methane_2_methanol/ && SC_CORR=1 ./Run.NVT_ntt3 DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/methane_2_methanol cudaGetDeviceCount failed unknown error ./Run.NVT_ntt3: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/methane_2_methanol/ && SC_CORR=2 ./Run.NVT_ntt3 DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/methane_2_methanol cudaGetDeviceCount failed unknown error ./Run.NVT_ntt3: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=0 ./Run.SC_NVE DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/ligand cudaGetDeviceCount failed unknown error ./Run.SC_NVE: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=-1 ./Run.SC_NVE DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/ligand cudaGetDeviceCount failed unknown error ./Run.SC_NVE: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=1 ./Run.SC_NVE DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/ligand cudaGetDeviceCount failed unknown error ./Run.SC_NVE: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=2 ./Run.SC_NVE DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/ligand cudaGetDeviceCount failed unknown error ./Run.SC_NVE: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=0 ./Run.SC_NVT DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/ligand cudaGetDeviceCount failed unknown error ./Run.SC_NVT: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=-1 ./Run.SC_NVT DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/ligand cudaGetDeviceCount failed unknown error ./Run.SC_NVT: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=1 ./Run.SC_NVT DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/ligand cudaGetDeviceCount failed unknown error ./Run.SC_NVT: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=2 ./Run.SC_NVT DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/ligand cudaGetDeviceCount failed unknown error ./Run.SC_NVT: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=0 ./Run.SC_NVT_MBAR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/ligand cudaGetDeviceCount failed unknown error ./Run.SC_NVT_MBAR: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=-1 ./Run.SC_NVT_MBAR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/ligand cudaGetDeviceCount failed unknown error ./Run.SC_NVT_MBAR: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=1 ./Run.SC_NVT_MBAR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/ligand cudaGetDeviceCount failed unknown error ./Run.SC_NVT_MBAR: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=2 ./Run.SC_NVT_MBAR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/ligand cudaGetDeviceCount failed unknown error ./Run.SC_NVT_MBAR: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=0 ./Run.SC_NVE DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVE: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=-1 ./Run.SC_NVE DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVE: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=1 ./Run.SC_NVE DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVE: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=2 ./Run.SC_NVE DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVE: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=0 ./Run.SC_NVT DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVT: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=-1 ./Run.SC_NVT DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVT: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=1 ./Run.SC_NVT DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVT: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=2 ./Run.SC_NVT DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVT: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=0 ./Run.SC_NVT_MBAR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVT_MBAR: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=-1 ./Run.SC_NVT_MBAR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVT_MBAR: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=1 ./Run.SC_NVT_MBAR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVT_MBAR: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=2 ./Run.SC_NVT_MBAR DPFP /home/sks/Desktop/SUCHETANA/amber20/test/cuda/gti/SC_Correction/complex cudaGetDeviceCount failed unknown error ./Run.SC_NVT_MBAR: Program error Makefile:298: recipe for target 'test.pmemd.cuda.gti.SC_Correction' failed make[3]: [test.pmemd.cuda.gti.SC_Correction] Error 1 (ignored) make[3]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/test/cuda' make[2]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/test' make[2]: Entering directory '/home/sks/Desktop/SUCHETANA/amber20/test' Finished CUDA test suite for Amber 20 at Fri Jul 3 09:59:48 IST 2020. make[2]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/test' 0 file comparisons passed 14 file comparisons failed (0 of which can be ignored) 196 tests experienced errors Test log file saved as /home/sks/Desktop/SUCHETANA/amber20/logs/test_amber_cuda/2020-07-03_09-59-43.log Test diffs file saved as /home/sks/Desktop/SUCHETANA/amber20/logs/test_amber_cuda/2020-07-03_09-59-43.diff Makefile:24: recipe for target 'test.cuda.serial' failed make[1]: *** [test.cuda.serial] Error 1 make[1]: Leaving directory '/home/sks/Desktop/SUCHETANA/amber20/test' Makefile:36: recipe for target 'test.cuda.serial' failed make: [test.cuda.serial] Error 2 (ignored) (base) sks@HP-Z640-Workstation:~/Desktop/SUCHETANA/amber20$ nvcc --version nvcc: NVIDIA (R) Cuda compiler driver Copyright (c) 2005-2017 NVIDIA Corporation Built on Fri_Sep__1_21:08:03_CDT_2017 Cuda compilation tools, release 9.0, V9.0.176