make[2]: Entering directory `/home/jonathan/amber14/test' cd cuda && make -k test.pmemd.cuda PREC_MODEL=SPFP make[3]: Entering directory `/home/jonathan/amber14/test/cuda' ------------------------------------ Running CUDA Implicit solvent tests. Precision Model = SPFP ------------------------------------ cd gb_ala3/ && ./Run.igb1_ntc1_min SPFP /home/jonathan/amber14/include/netcdf.mod diffing igb1_ntc1_min.out.GPU_SPFP with igb1_ntc1_min.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb1_ntc1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest1_ntt0_igb1_ntc1.out.GPU_SPFP with irest1_ntt0_igb1_ntc1.out PASSED ============================================================== diffing irest1_ntt0_igb1_ntc1.rst.GPU_SPFP with irest1_ntt0_igb1_ntc1.rst PASSED ============================================================== diffing irest1_ntt0_igb1_ntc1.mdcrd.GPU_SPFP with irest1_ntt0_igb1_ntc1.mdcrd PASSED ============================================================== cd gb_ala3/ && ./Run.irest0_ntt0_igb1_ntc1_hotstart SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest0_ntt0_igb1_ntc1_hotstart.out.GPU_SPFP with irest0_ntt0_igb1_ntc1_hotstart.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest0_ntt0_igb1_ntc1_coldstart SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest0_ntt0_igb1_ntc1_coldstart.out.GPU_SPFP with irest0_ntt0_igb1_ntc1_coldstart.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb1_ntc2 SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest1_ntt0_igb1_ntc2.out.GPU_SPFP with irest1_ntt0_igb1_ntc2.out PASSED ============================================================== diffing irest1_ntt0_igb1_ntc2.rst.GPU_SPFP with irest1_ntt0_igb1_ntc2.rst PASSED ============================================================== diffing irest1_ntt0_igb1_ntc2.mdcrd.GPU_SPFP with irest1_ntt0_igb1_ntc2.mdcrd PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb2_ntc1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest1_ntt0_igb2_ntc1.out.GPU_SPFP with irest1_ntt0_igb2_ntc1.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb2_ntc2 SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest1_ntt0_igb2_ntc2.out.GPU_SPFP with irest1_ntt0_igb2_ntc2.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest1_ntt0_igb5_ntc1.out.GPU_SPFP with irest1_ntt0_igb5_ntc1.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb7_ntc2 SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest1_ntt0_igb7_ntc2.out.GPU_SPFP with irest1_ntt0_igb7_ntc2.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb8_ntc2 SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest1_ntt0_igb8_ntc2.out.GPU_SPFP with irest1_ntt0_igb8_ntc2.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2 SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest1_ntt0_igb5_ntc2.out.GPU_SPFP with irest1_ntt0_igb5_ntc2.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_ntr1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest1_ntt0_igb5_ntc2_ntr1.out.GPU_SPFP with irest1_ntt0_igb5_ntc2_ntr1.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_saltcon SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest1_ntt0_igb5_ntc2_saltcon.out.GPU_SPFP with irest1_ntt0_igb5_ntc2_saltcon.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_rgbmax SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest1_ntt0_igb5_ntc2_rgbmax.out.GPU_SPFP with irest1_ntt0_igb5_ntc2_rgbmax.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_alpb SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest1_ntt0_igb5_ntc2_alpb.out.GPU_SPFP with irest1_ntt0_igb5_ntc2_alpb.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt1_igb1_ntc2 SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest1_ntt1_igb1_ntc2.out.GPU_SPFP with irest1_ntt1_igb1_ntc2.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt2_igb1_ntc2 SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest1_ntt2_igb1_ntc2.out.GPU_SPFP with irest1_ntt2_igb1_ntc2.out possible FAILURE: check irest1_ntt2_igb1_ntc2.out.dif ============================================================== cd gb_ala3/ && ./Run.irest1_ntt3_igb1_ntc2 SPFP /home/jonathan/amber14/include/netcdf.mod diffing irest1_ntt3_igb1_ntc2.out.GPU_SPFP with irest1_ntt3_igb1_ntc2.out PASSED ============================================================== cd nmropt/gb/multi-angle/ && ./Run.nmropt_2angle_gb SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== cd chamber/dhfr/ && ./Run.dhfr_charmm.min SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr_charmm_min.GPU_SPFP with mdout.dhfr_charmm_min possible FAILURE: check mdout.dhfr_charmm_min.dif ============================================================== cd chamber/dhfr_cmap/ && ./Run.dhfr_charmm.min SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr_charmm_min.GPU_SPFP with mdout.dhfr_charmm_min possible FAILURE: check mdout.dhfr_charmm_min.dif ============================================================== cd nucleosome/ && ./Run_min.1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing nucleosome_min.out.GPU_SPFP with nucleosome_min.out possible FAILURE: check nucleosome_min.out.dif ============================================================== --------------------------------------------- Running Extended CUDA Implicit solvent tests. Precision Model = SPFP --------------------------------------------- cd trpcage/ && ./Run_md_trpcage SPFP /home/jonathan/amber14/include/netcdf.mod diffing trpcage_md.out.GPU_SPFP with trpcage_md.out PASSED ============================================================== cd myoglobin/ && ./Run_md_myoglobin SPFP /home/jonathan/amber14/include/netcdf.mod diffing myoglobin_md.out.GPU_SPFP with myoglobin_md.out PASSED ============================================================== cd myoglobin/ && ./Run_md_myoglobin_igb7 SPFP /home/jonathan/amber14/include/netcdf.mod diffing myoglobin_md_igb7.out.GPU_SPFP with myoglobin_md_igb7.out PASSED ============================================================== cd myoglobin/ && ./Run_md_myoglobin_igb8 SPFP /home/jonathan/amber14/include/netcdf.mod diffing myoglobin_md_igb8.out.GPU_SPFP with myoglobin_md_igb8.out PASSED ============================================================== cd myoglobin/ && ./Run_md_myoglobin_igb8_gbsa SPFP /home/jonathan/amber14/include/netcdf.mod diffing myoglobin_md_igb8_gbsa.out.GPU_SPFP with myoglobin_md_igb8_gbsa.out PASSED ============================================================== cd cnstph/implicit/ && ./Run.cnstph SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== diffing cpout.GPU_SPFP with cpout PASSED ============================================================== cd chamber/dhfr/ && ./Run.dhfr_charmm.md SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr_charmm_md.GPU_SPFP with mdout.dhfr_charmm_md PASSED ============================================================== cd chamber/dhfr_cmap/ && ./Run.dhfr_charmm.md SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr_charmm_md.GPU_SPFP with mdout.dhfr_charmm_md PASSED ============================================================== cd nucleosome/ && ./Run_md.1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing nucleosome_md1_ntt1.out.GPU_SPFP with nucleosome_md1_ntt1.out PASSED ============================================================== cd nucleosome/ && ./Run_md.2 SPFP /home/jonathan/amber14/include/netcdf.mod diffing nucleosome_md2_ntt0.out.GPU_SPFP with nucleosome_md2_ntt0.out possible FAILURE: check nucleosome_md2_ntt0.out.dif ============================================================== cd amd/rna_gb && ./Run.gb.amd1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.gb.amd1.GPU_SPFP with mdout.gb.amd1 PASSED ============================================================== cd amd/rna_gb && ./Run.gb.amd2 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.gb.amd2.GPU_SPFP with mdout.gb.amd2 PASSED ============================================================== cd amd/rna_gb && ./Run.gb.amd3 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.gb.amd3.GPU_SPFP with mdout.gb.amd3 PASSED ============================================================== cd nmropt/gb/angle/ && ./Run.nmropt_1angle_gb SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== diffing angle_gb_vs_t.GPU_SPFP with angle_gb_vs_t PASSED ============================================================== cd nmropt/gb/distance/ && ./Run.dist_gb SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== diffing dist_gb_vs_t.GPU_SPFP with dist_gb_vs_t PASSED ============================================================== #-cd nmropt/gb/distance_COM/ && ./Run.distCOM_gb SPFP /home/jonathan/amber14/include/netcdf.mod #-cd nmropt/gb/jar_distance_COM/ && ./Run.jar_gb SPFP /home/jonathan/amber14/include/netcdf.mod cd nmropt/gb/jar_distance/ && ./Run.jar_gb SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== diffing dist_gb_vs_t.GPU_SPFP with dist_gb_vs_t PASSED ============================================================== cd nmropt/gb/jar_torsion/ && ./Run.jar_torsion SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== diffing jartorsion_gb.dat.GPU_SPFP with jartorsion_gb.dat PASSED ============================================================== cd nmropt/gb/nmropt_1_torsion/ && ./Run.nmropt_1_torsion SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== diffing torsion_gb.dat.GPU_SPFP with torsion_gb.dat PASSED ============================================================== cd nmropt/gb/tautp/ && ./Run.nmropt_1tautp_gb SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== cd nmropt/gb/temp/ && ./Run.nmropt_1temp_gb SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== --------------------------------------------- Running Extended CUDA Explicit solvent tests. Precision Model = SPFP --------------------------------------------- cd FactorIX_NVE/ && ./Run.FactorIX_NVE SPFP /home/jonathan/amber14/include/netcdf.mod diffing FactorIX_NVE.out.GPU_SPFP with FactorIX_NVE.out possible FAILURE: check FactorIX_NVE.out.dif ============================================================== cd 4096wat/ && ./Run.pure_wat SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.pure_wat.GPU_SPFP with mdout.pure_wat PASSED ============================================================== cd 4096wat_oct/ && ./Run.pure_wat_oct_NVE SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.pure_wat_oct_nve.GPU_SPFP with mdout.pure_wat_oct_nve PASSED ============================================================== diffing mdcrd.pure_wat_oct_nve.GPU_SPFP with mdcrd.pure_wat_oct_nve PASSED ============================================================== cd 4096wat_oct/ && ./Run.pure_wat_oct_NVT_NTT1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.pure_wat_oct_nvt_ntt1.GPU_SPFP with mdout.pure_wat_oct_nvt_ntt1 PASSED ============================================================== diffing mdcrd.pure_wat_oct_nvt_ntt1.GPU_SPFP with mdcrd.pure_wat_oct_nvt_ntt1 PASSED ============================================================== cd 4096wat_oct/ && ./Run.pure_wat_oct_NPT_NTT1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.pure_wat_oct_npt_ntt1.GPU_SPFP with mdout.pure_wat_oct_npt_ntt1 possible FAILURE: check mdout.pure_wat_oct_npt_ntt1.dif ============================================================== diffing mdcrd.pure_wat_oct_npt_ntt1.GPU_SPFP with mdcrd.pure_wat_oct_npt_ntt1 PASSED ============================================================== cd large_solute_count/ && ./Run.ntb2_ntt1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.ntb2_ntt1.GPU_SPFP with mdout.ntb2_ntt1 PASSED ============================================================== cd jac/ && ./Run.jac SPFP /home/jonathan/amber14/include/netcdf.mod diffing jac.out.GPU_SPFP with jac.out possible FAILURE: check jac.out.dif ============================================================== cd dhfr/ && ./Run.dhfr SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr.GPU_SPFP with mdout.dhfr PASSED ============================================================== cd dhfr/ && ./Run.dhfr.ntr1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr.ntr1.GPU_SPFP with mdout.dhfr.ntr1 PASSED ============================================================== cd dhfr/ && ./Run.dhfr.ntb2 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr.ntb2.GPU_SPFP with mdout.dhfr.ntb2 PASSED ============================================================== cd dhfr/ && ./Run.dhfr.ntb2_ntt1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr.ntb2_ntt1.GPU_SPFP with mdout.dhfr.ntb2_ntt1 possible FAILURE: check mdout.dhfr.ntb2_ntt1.dif ============================================================== cd dhfr/ && ./Run.dhfr.ntb2_ntt1_ntr1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr.ntb2_ntt1_ntr1.GPU_SPFP with mdout.dhfr.ntb2_ntt1_ntr1 possible FAILURE: check mdout.dhfr.ntb2_ntt1_ntr1.dif ============================================================== cd dhfr/ && ./Run.dhfr.noshake SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr.noshake.GPU_SPFP with mdout.dhfr.noshake PASSED ============================================================== cd chamber/dhfr_pbc/ && ./Run.dhfr_pbc_charmm_noshake.md SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr_charmm_pbc_noshake_md.GPU_SPFP with mdout.dhfr_charmm_pbc_noshake_md PASSED ============================================================== cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm.md SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr_charmm_pbc_md.GPU_SPFP with mdout.dhfr_charmm_pbc_md PASSED ============================================================== cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm_NPT.md SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr_charmm_pbc_md_NPT.GPU_SPFP with mdout.dhfr_charmm_pbc_md_NPT possible FAILURE: check mdout.dhfr_charmm_pbc_md_NPT.dif ============================================================== cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm_noshake.md SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr_charmm_pbc_noshake_md.GPU_SPFP with mdout.dhfr_charmm_pbc_noshake_md PASSED ============================================================== cd ips/ && ./Run.ips SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.ips.GPU_SPFP with mdout.ips PASSED ============================================================== cd amd/dhfr_pme && ./Run.pme.amd1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.pme.amd1.GPU_SPFP with mdout.pme.amd1 possible FAILURE: check mdout.pme.amd1.dif ============================================================== cd amd/dhfr_pme && ./Run.pme.amd2 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.pme.amd2.GPU_SPFP with mdout.pme.amd2 possible FAILURE: check mdout.pme.amd2.dif ============================================================== cd amd/dhfr_pme && ./Run.pme.amd3 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.pme.amd3.GPU_SPFP with mdout.pme.amd3 possible FAILURE: check mdout.pme.amd3.dif ============================================================== cd amd/gact_ips && ./Run.ips.amd1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.ips.amd1.GPU_SPFP with mdout.ips.amd1 PASSED ============================================================== cd amd/gact_ips && ./Run.ips.amd2 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.ips.amd2.GPU_SPFP with mdout.ips.amd2 PASSED ============================================================== cd amd/gact_ips && ./Run.ips.amd3 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.ips.amd3.GPU_SPFP with mdout.ips.amd3 PASSED ============================================================== cd scaledMD && ./Run.scaledMD SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== cd nmropt/pme/angle/ && ./Run.nmropt_1angle_pbc SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== diffing angle_pbc_vs_t.GPU_SPFP with angle_pbc_vs_t PASSED ============================================================== cd nmropt/pme/distance/ && ./Run.dist_pbc SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== diffing dist_pbc_vs_t.GPU_SPFP with dist_pbc_vs_t PASSED ============================================================== #-cd nmropt/pme/distance_COM/ && ./Run.distCOM_pbc SPFP /home/jonathan/amber14/include/netcdf.mod #-cd nmropt/pme/jar_distance_COM/ && ./Run.jar_pbc SPFP /home/jonathan/amber14/include/netcdf.mod cd nmropt/pme/jar_distance/ && ./Run.jar_pbc SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== diffing dist_pbc_vs_t.GPU_SPFP with dist_pbc_vs_t PASSED ============================================================== cd nmropt/pme/jar_torsion/ && ./Run.jar_torsion SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== diffing jartorsion_pbc.dat.GPU_SPFP with jartorsion_pbc.dat PASSED ============================================================== cd nmropt/pme/nmropt_1_torsion/ && ./Run.nmropt_1_torsion SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== diffing torsion_pbc.dat.GPU_SPFP with torsion_pbc.dat PASSED ============================================================== cd nmropt/pme/tautp/ && ./Run.nmropt_1tautp_pbc SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== cd nmropt/pme/temp/ && ./Run.nmropt_1temp_pbc SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== cd cnstph/explicit/ && ./Run.cnstph SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout possible FAILURE: check mdout.dif ============================================================== diffing cpout.GPU_SPFP with cpout PASSED ============================================================== cd tip4pew/ && ./Run.tip4pew_box_nvt SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.tip4pew_box_nvt.GPU_SPFP with mdout.tip4pew_box_nvt possible FAILURE: check mdout.tip4pew_box_nvt.dif ============================================================== cd tip4pew/ && ./Run.tip4pew_box_npt SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.tip4pew_box_npt.GPU_SPFP with mdout.tip4pew_box_npt PASSED ============================================================== cd tip4pew/ && ./Run.tip4pew_oct_nvt SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.tip4pew_oct_nvt.GPU_SPFP with mdout.tip4pew_oct_nvt PASSED ============================================================== cd tip4pew/ && ./Run.tip4pew_oct_npt SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.tip4pew_oct_npt.GPU_SPFP with mdout.tip4pew_oct_npt possible FAILURE: check mdout.tip4pew_oct_npt.dif ============================================================== cd tip4pew/ && ./Run.tip4pew_box_npt_mcbar SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.tip4pew_box_npt_mcbar.GPU_SPFP with mdout.tip4pew_box_npt_mcbar PASSED ============================================================== cd tip4pew/ && ./Run.tip4pew_oct_npt_mcbar SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.tip4pew_oct_npt_mcbar.GPU_SPFP with mdout.tip4pew_oct_npt_mcbar PASSED ============================================================== cd tip5p/ && ./Run.tip5p_box_nvt SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.tip5p_box_nvt.GPU_SPFP with mdout.tip5p_box_nvt PASSED ============================================================== cd tip5p/ && ./Run.tip5p_box_npt SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.tip5p_box_npt.GPU_SPFP with mdout.tip5p_box_npt PASSED ============================================================== cd tip5p/ && ./Run.tip5p_oct_nvt SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.tip5p_oct_nvt.GPU_SPFP with mdout.tip5p_oct_nvt PASSED ============================================================== cd tip5p/ && ./Run.tip5p_oct_npt SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.tip5p_oct_npt.GPU_SPFP with mdout.tip5p_oct_npt PASSED ============================================================== cd HMR/ && ./Run.HMR SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.GPU_SPFP with mdout PASSED ============================================================== cd lipid_npt_tests/ && ./Run_nve.lipid14 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout_nve_lipid14.GPU_SPFP with mdout_nve_lipid14 possible FAILURE: check mdout_nve_lipid14.dif ============================================================== cd lipid_npt_tests/ && ./Run_nvt.lipid14 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout_nvt_lipid14.GPU_SPFP with mdout_nvt_lipid14 possible FAILURE: check mdout_nvt_lipid14.dif ============================================================== cd lipid_npt_tests/ && ./Run_npt_isotropic.lipid14 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout_npt_isotropic_lipid14.GPU_SPFP with mdout_npt_isotropic_lipid14 PASSED ============================================================== cd lipid_npt_tests/ && ./Run_npt_anisotropic.lipid14 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout_npt_anisotropic_lipid14.GPU_SPFP with mdout_npt_anisotropic_lipid14 possible FAILURE: check mdout_npt_anisotropic_lipid14.dif ============================================================== cd lipid_npt_tests/ && ./Run_npt_semiisotropic.lipid14 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout_npt_semiisotropic_lipid14.GPU_SPFP with mdout_npt_semiisotropic_lipid14 possible FAILURE: check mdout_npt_semiisotropic_lipid14.dif ============================================================== ------------------------------------ Running CUDA Explicit solvent tests. Precision Model = SPFP ------------------------------------ cd 4096wat/ && ./Run.vrand SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.vrand.GPU_SPFP with mdout.vrand possible FAILURE: check mdout.vrand.dif ============================================================== cd 4096wat_oct/ && ./Run.pure_wat_oct_NVT_NTT2 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.pure_wat_oct_nvt_ntt2.GPU_SPFP with mdout.pure_wat_oct_nvt_ntt2 PASSED ============================================================== diffing mdcrd.pure_wat_oct_nvt_ntt2.GPU_SPFP with mdcrd.pure_wat_oct_nvt_ntt2 PASSED ============================================================== cd 4096wat_oct/ && ./Run.pure_wat_oct_NVT_NTT3 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.pure_wat_oct_nvt_ntt3.GPU_SPFP with mdout.pure_wat_oct_nvt_ntt3 PASSED ============================================================== diffing mdcrd.pure_wat_oct_nvt_ntt3.GPU_SPFP with mdcrd.pure_wat_oct_nvt_ntt3 PASSED ============================================================== cd dhfr/ && ./Run.dhfr.ntb2_ntt3 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr.ntb2_ntt3.GPU_SPFP with mdout.dhfr.ntb2_ntt3 PASSED ============================================================== cd ips/ && ./Run.ips_ntt3 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.ips_ntt3.GPU_SPFP with mdout.ips_ntt3 PASSED ============================================================== cd npt_ntr_ntt3_oct/ && ./Run.ntp1 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.ntp1.GPU_SPFP with mdout.ntp1 possible FAILURE: check mdout.ntp1.dif ============================================================== cd dhfr/ && ./Run.dhfr.min SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr.min.GPU_SPFP with mdout.dhfr.min PASSED ============================================================== cd chamber/dhfr_pbc/ && ./Run.dhfr_pbc_charmm_noshake.min SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr_charmm_pbc_noshake_min.GPU_SPFP with mdout.dhfr_charmm_pbc_noshake_min possible FAILURE: check mdout.dhfr_charmm_pbc_noshake_min.dif ============================================================== cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm.min SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr_charmm_pbc_min.GPU_SPFP with mdout.dhfr_charmm_pbc_min PASSED ============================================================== cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm_noshake.min SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.dhfr_charmm_pbc_noshake_min.GPU_SPFP with mdout.dhfr_charmm_pbc_noshake_min PASSED ============================================================== cd cellulose/ && ./Run.cellulose_nvt_256_128_128 SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.cellulose_nvt_256_128_128.GPU_SPFP with mdout.cellulose_nvt_256_128_128 possible FAILURE: check mdout.cellulose_nvt_256_128_128.dif ============================================================== cd cellulose/ && ./Run.cellulose_nvt SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.cellulose_nvt.GPU_SPFP with mdout.cellulose_nvt PASSED ============================================================== cd cellulose/ && ./Run.cellulose_npt SPFP /home/jonathan/amber14/include/netcdf.mod diffing mdout.cellulose_npt.GPU_SPFP with mdout.cellulose_npt possible FAILURE: check mdout.cellulose_npt.dif ============================================================== make[3]: Leaving directory `/home/jonathan/amber14/test/cuda' make[2]: Leaving directory `/home/jonathan/amber14/test' 99 file comparisons passed 26 file comparisons failed 0 tests experienced errors