make[2]: se entra en el directorio '/home/tony/amber18/test' cd cuda && make -k test.pmemd.cuda PREC_MODEL=DPFP make[3]: se entra en el directorio '/home/tony/amber18/test/cuda' ------------------------------------ Running CUDA Implicit solvent tests. Precision Model = DPFP ------------------------------------ cd gb_ala3/ && ./Run.igb1_ntc1_min DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DENORMAL diffing igb1_ntc1_min.out.GPU_DPFP with igb1_ntc1_min.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb1_ntc1 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest1_ntt0_igb1_ntc1.out.GPU_DPFP with irest1_ntt0_igb1_ntc1.out PASSED ============================================================== diffing irest1_ntt0_igb1_ntc1.rst.GPU_DPFP with irest1_ntt0_igb1_ntc1.rst PASSED ============================================================== diffing irest1_ntt0_igb1_ntc1.mdcrd.GPU_DPFP with irest1_ntt0_igb1_ntc1.mdcrd PASSED ============================================================== cd gb_ala3/ && ./Run.irest0_ntt0_igb1_ntc1_hotstart DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest0_ntt0_igb1_ntc1_hotstart.out.GPU_DPFP with irest0_ntt0_igb1_ntc1_hotstart.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest0_ntt0_igb1_ntc1_coldstart DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest0_ntt0_igb1_ntc1_coldstart.out.GPU_DPFP with irest0_ntt0_igb1_ntc1_coldstart.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb1_ntc2 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest1_ntt0_igb1_ntc2.out.GPU_DPFP with irest1_ntt0_igb1_ntc2.out PASSED ============================================================== diffing irest1_ntt0_igb1_ntc2.rst.GPU_DPFP with irest1_ntt0_igb1_ntc2.rst PASSED ============================================================== diffing irest1_ntt0_igb1_ntc2.mdcrd.GPU_DPFP with irest1_ntt0_igb1_ntc2.mdcrd PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb2_ntc1 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest1_ntt0_igb2_ntc1.out.GPU_DPFP with irest1_ntt0_igb2_ntc1.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb2_ntc2 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest1_ntt0_igb2_ntc2.out.GPU_DPFP with irest1_ntt0_igb2_ntc2.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc1 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest1_ntt0_igb5_ntc1.out.GPU_DPFP with irest1_ntt0_igb5_ntc1.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb7_ntc2 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest1_ntt0_igb7_ntc2.out.GPU_DPFP with irest1_ntt0_igb7_ntc2.out possible FAILURE: check irest1_ntt0_igb7_ntc2.out.dif ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb8_ntc2 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest1_ntt0_igb8_ntc2.out.GPU_DPFP with irest1_ntt0_igb8_ntc2.out possible FAILURE: check irest1_ntt0_igb8_ntc2.out.dif ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest1_ntt0_igb5_ntc2.out.GPU_DPFP with irest1_ntt0_igb5_ntc2.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_ntr1 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest1_ntt0_igb5_ntc2_ntr1.out.GPU_DPFP with irest1_ntt0_igb5_ntc2_ntr1.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_saltcon DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest1_ntt0_igb5_ntc2_saltcon.out.GPU_DPFP with irest1_ntt0_igb5_ntc2_saltcon.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_rgbmax DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest1_ntt0_igb5_ntc2_rgbmax.out.GPU_DPFP with irest1_ntt0_igb5_ntc2_rgbmax.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_alpb DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest1_ntt0_igb5_ntc2_alpb.out.GPU_DPFP with irest1_ntt0_igb5_ntc2_alpb.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt1_igb1_ntc2 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest1_ntt1_igb1_ntc2.out.GPU_DPFP with irest1_ntt1_igb1_ntc2.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt2_igb1_ntc2 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest1_ntt2_igb1_ntc2.out.GPU_DPFP with irest1_ntt2_igb1_ntc2.out PASSED ============================================================== cd gb_ala3/ && ./Run.irest1_ntt3_igb1_ntc2 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing irest1_ntt3_igb1_ntc2.out.GPU_DPFP with irest1_ntt3_igb1_ntc2.out PASSED ============================================================== cd nmropt/gb/multi-angle/ && ./Run.nmropt_2angle_gb DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== cd chamber/dhfr/ && ./Run.dhfr_charmm.min DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.dhfr_charmm_min.GPU_DPFP with mdout.dhfr_charmm_min PASSED ============================================================== cd chamber/dhfr_cmap/ && ./Run.dhfr_charmm.min DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.dhfr_charmm_min.GPU_DPFP with mdout.dhfr_charmm_min PASSED ============================================================== cd nucleosome/ && ./Run_min.1 DPFP /home/tony/amber18/include/netcdf.mod diffing nucleosome_min.out.GPU_DPFP with nucleosome_min.out PASSED ============================================================== --------------------------------------------- Running Extended CUDA Implicit solvent tests. Precision Model = DPFP --------------------------------------------- cd trpcage/ && ./Run_md_trpcage DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing trpcage_md.out.GPU_DPFP with trpcage_md.out PASSED ============================================================== cd myoglobin/ && ./Run_md_myoglobin DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing myoglobin_md.out.GPU_DPFP with myoglobin_md.out PASSED ============================================================== cd myoglobin/ && ./Run_md_myoglobin_igb7 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing myoglobin_md_igb7.out.GPU_DPFP with myoglobin_md_igb7.out possible FAILURE: check myoglobin_md_igb7.out.dif ============================================================== cd myoglobin/ && ./Run_md_myoglobin_igb8 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing myoglobin_md_igb8.out.GPU_DPFP with myoglobin_md_igb8.out possible FAILURE: check myoglobin_md_igb8.out.dif ============================================================== cd myoglobin/ && ./Run_md_myoglobin_igb8_gbsa DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing myoglobin_md_igb8_gbsa.out.GPU_DPFP with myoglobin_md_igb8_gbsa.out possible FAILURE: check myoglobin_md_igb8_gbsa.out.dif ============================================================== cd cnstph/implicit/ && ./Run.cnstph DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing cpout.GPU_DPFP with cpout PASSED ============================================================== cd cnste/implicit/ && ./Run.cnste DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing ceout.GPU_DPFP with ceout PASSED ============================================================== cd cnstphe/implicit/ && ./Run.cnstphe DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing cpout.GPU_DPFP with cpout PASSED ============================================================== diffing ceout.GPU_DPFP with ceout PASSED ============================================================== cd chamber/dhfr/ && ./Run.dhfr_charmm.md DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.dhfr_charmm_md.GPU_DPFP with mdout.dhfr_charmm_md PASSED ============================================================== cd chamber/dhfr_cmap/ && ./Run.dhfr_charmm.md DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.dhfr_charmm_md.GPU_DPFP with mdout.dhfr_charmm_md PASSED ============================================================== cd nucleosome/ && ./Run_md.1 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing nucleosome_md1_ntt1.out.GPU_DPFP with nucleosome_md1_ntt1.out PASSED ============================================================== cd nucleosome/ && ./Run_md.2 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing nucleosome_md2_ntt0.out.GPU_DPFP with nucleosome_md2_ntt0.out PASSED ============================================================== cd gamd/rna_gb && ./Run.gb.gamd1 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.gb.gamd1.GPU_DPFP with mdout.gb.gamd1 PASSED ============================================================== cd gamd/rna_gb && ./Run.gb.gamd2 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.gb.gamd2.GPU_DPFP with mdout.gb.gamd2 PASSED ============================================================== cd gamd/rna_gb && ./Run.gb.gamd3 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.gb.gamd3.GPU_DPFP with mdout.gb.gamd3 PASSED ============================================================== cd amd/rna_gb && ./Run.gb.amd1 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.gb.amd1.GPU_DPFP with mdout.gb.amd1 PASSED ============================================================== cd amd/rna_gb && ./Run.gb.amd2 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.gb.amd2.GPU_DPFP with mdout.gb.amd2 PASSED ============================================================== cd amd/rna_gb && ./Run.gb.amd3 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.gb.amd3.GPU_DPFP with mdout.gb.amd3 PASSED ============================================================== cd nmropt/gb/angle/ && ./Run.nmropt_1angle_gb DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing angle_gb_vs_t.GPU_DPFP with angle_gb_vs_t PASSED ============================================================== cd nmropt/gb/distance/ && ./Run.dist_gb DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing dist_gb_vs_t.GPU_DPFP with dist_gb_vs_t PASSED ============================================================== cd nmropt/gb/distance_COM/ && ./Run.distCOM_gb DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing distCOM_gb_vs_t.GPU_DPFP with distCOM_gb_vs_t PASSED ============================================================== cd nmropt/gb/distance_COM/ && ./Run.distr6av_gb DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing distr6av_gb.GPU_DPFP with distr6av_gb PASSED ============================================================== diffing distr6av_gb_vs_t.GPU_DPFP with distr6av_gb_vs_t PASSED ============================================================== cd nmropt/gb/jar_distance_COM/ && ./Run.jar_gb DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing distCOM_gb_vs_t.GPU_DPFP with distCOM_gb_vs_t PASSED ============================================================== cd nmropt/gb/jar_distance/ && ./Run.jar_gb DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing dist_gb_vs_t.GPU_DPFP with dist_gb_vs_t PASSED ============================================================== cd nmropt/gb/jar_torsion/ && ./Run.jar_torsion DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing jartorsion_gb.dat.GPU_DPFP with jartorsion_gb.dat PASSED ============================================================== cd nmropt/gb/nmropt_1_torsion/ && ./Run.nmropt_1_torsion DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing torsion_gb.dat.GPU_DPFP with torsion_gb.dat PASSED ============================================================== cd nmropt/gb/tautp/ && ./Run.nmropt_1tautp_gb DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== cd nmropt/gb/temp/ && ./Run.nmropt_1temp_gb DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== --------------------------------------------- Running Extended CUDA Explicit solvent tests. Precision Model = DPFP --------------------------------------------- cd FactorIX_NVE/ && ./Run.FactorIX_NVE DPFP /home/tony/amber18/include/netcdf.mod diffing FactorIX_NVE.out.GPU_DPFP with FactorIX_NVE.out PASSED ============================================================== cd 4096wat/ && ./Run.pure_wat DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.pure_wat.GPU_DPFP with mdout.pure_wat PASSED ============================================================== cd 4096wat/ && ./Run.pure_wat_fswitch DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.pure_wat_fswitch.GPU_DPFP with mdout.pure_wat_fswitch PASSED ============================================================== cd 4096wat/ && ./Run.pure_wat_efield DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.pure_wat_efield.GPU_DPFP with mdout.pure_wat_efield PASSED ============================================================== cd 4096wat_oct/ && ./Run.pure_wat_oct_NVE DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.pure_wat_oct_nve.GPU_DPFP with mdout.pure_wat_oct_nve PASSED ============================================================== diffing mdcrd.pure_wat_oct_nve.GPU_DPFP with mdcrd.pure_wat_oct_nve PASSED ============================================================== cd 4096wat_oct/ && ./Run.pure_wat_oct_NVT_NTT1 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.pure_wat_oct_nvt_ntt1.GPU_DPFP with mdout.pure_wat_oct_nvt_ntt1 PASSED ============================================================== diffing mdcrd.pure_wat_oct_nvt_ntt1.GPU_DPFP with mdcrd.pure_wat_oct_nvt_ntt1 PASSED ============================================================== cd 4096wat_oct/ && ./Run.pure_wat_oct_NPT_NTT1 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.pure_wat_oct_npt_ntt1.GPU_DPFP with mdout.pure_wat_oct_npt_ntt1 PASSED ============================================================== diffing mdcrd.pure_wat_oct_npt_ntt1.GPU_DPFP with mdcrd.pure_wat_oct_npt_ntt1 PASSED ============================================================== cd large_solute_count/ && ./Run.ntb2_ntt1 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.ntb2_ntt1.GPU_DPFP with mdout.ntb2_ntt1 PASSED ============================================================== cd jac/ && ./Run.jac DPFP /home/tony/amber18/include/netcdf.mod diffing jac.out.GPU_DPFP with jac.out PASSED ============================================================== cd dhfr/ && ./Run.dhfr DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing mdout.dhfr.GPU_DPFP with mdout.dhfr PASSED ============================================================== cd dhfr/ && ./Run.dhfr.ntr1 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.dhfr.ntr1.GPU_DPFP with mdout.dhfr.ntr1 PASSED ============================================================== cd dhfr/ && ./Run.dhfr.ntb2 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.dhfr.ntb2.GPU_DPFP with mdout.dhfr.ntb2 PASSED ============================================================== cd dhfr/ && ./Run.dhfr.ntb2_ntt1 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.dhfr.ntb2_ntt1.GPU_DPFP with mdout.dhfr.ntb2_ntt1 PASSED ============================================================== cd dhfr/ && ./Run.dhfr.ntb2_ntt1_ntr1 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.dhfr.ntb2_ntt1_ntr1.GPU_DPFP with mdout.dhfr.ntb2_ntt1_ntr1 PASSED ============================================================== cd dhfr/ && ./Run.dhfr.noshake DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.dhfr.noshake.GPU_DPFP with mdout.dhfr.noshake PASSED ============================================================== cd chamber/dhfr_pbc/ && ./Run.dhfr_pbc_charmm_noshake.md DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing mdout.dhfr_charmm_pbc_noshake_md.GPU_DPFP with mdout.dhfr_charmm_pbc_noshake_md PASSED ============================================================== cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm.md DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing mdout.dhfr_charmm_pbc_md.GPU_DPFP with mdout.dhfr_charmm_pbc_md PASSED ============================================================== cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm_NPT.md DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing mdout.dhfr_charmm_pbc_md_NPT.GPU_DPFP with mdout.dhfr_charmm_pbc_md_NPT PASSED ============================================================== cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm_noshake.md DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing mdout.dhfr_charmm_pbc_noshake_md.GPU_DPFP with mdout.dhfr_charmm_pbc_noshake_md PASSED ============================================================== cd ips/ && ./Run.ips DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.ips.GPU_DPFP with mdout.ips PASSED ============================================================== cd gamd/dhfr_pme && ./Run.pme.gamd1 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.pme.gamd1.GPU_DPFP with mdout.pme.gamd1 PASSED ============================================================== cd gamd/dhfr_pme && ./Run.pme.gamd2 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.pme.gamd2.GPU_DPFP with mdout.pme.gamd2 PASSED ============================================================== cd gamd/dhfr_pme && ./Run.pme.gamd3 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.pme.gamd3.GPU_DPFP with mdout.pme.gamd3 PASSED ============================================================== cd amd/dhfr_pme && ./Run.pme.amd1 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.pme.amd1.GPU_DPFP with mdout.pme.amd1 PASSED ============================================================== cd amd/dhfr_pme && ./Run.pme.amd2 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing mdout.pme.amd2.GPU_DPFP with mdout.pme.amd2 PASSED ============================================================== cd amd/dhfr_pme && ./Run.pme.amd3 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.pme.amd3.GPU_DPFP with mdout.pme.amd3 PASSED ============================================================== cd amd/gact_ips && ./Run.ips.amd1 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.ips.amd1.GPU_DPFP with mdout.ips.amd1 PASSED ============================================================== cd amd/gact_ips && ./Run.ips.amd2 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.ips.amd2.GPU_DPFP with mdout.ips.amd2 PASSED ============================================================== cd amd/gact_ips && ./Run.ips.amd3 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.ips.amd3.GPU_DPFP with mdout.ips.amd3 PASSED ============================================================== cd scaledMD && ./Run.scaledMD DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== cd nmropt/pme/angle/ && ./Run.nmropt_1angle_pbc DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing angle_pbc_vs_t.GPU_DPFP with angle_pbc_vs_t PASSED ============================================================== cd nmropt/pme/distance/ && ./Run.dist_pbc DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing dist_pbc_vs_t.GPU_DPFP with dist_pbc_vs_t PASSED ============================================================== cd nmropt/pme/distance_COM/ && ./Run.distCOM_pbc DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing distCOM_pbc_vs_t.GPU_DPFP with distCOM_pbc_vs_t PASSED ============================================================== cd nmropt/pme/distance_COM/ && ./Run.multi-distCOM-multi-dist_pbc DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing multi-distCOM-multi-dist_pbc.GPU_DPFP with multi-distCOM-multi-dist_pbc PASSED ============================================================== diffing multi-distCOM-multi-dist_pbc_vs_t.GPU_DPFP with multi-distCOM-multi-dist_pbc_vs_t PASSED ============================================================== cd nmropt/pme/distance_COM/ && ./Run.multi-distr6av_pbc DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing multi-distr6av_pbc.GPU_DPFP with multi-distr6av_pbc PASSED ============================================================== diffing multi-distr6av_pbc_vs_t.GPU_DPFP with multi-distr6av_pbc_vs_t PASSED ============================================================== cd nmropt/pme/jar_distance_COM/ && ./Run.jar_pbc DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing distCOM_pbc_vs_t.GPU_DPFP with distCOM_pbc_vs_t PASSED ============================================================== cd nmropt/pme/jar_distance/ && ./Run.jar_pbc DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing dist_pbc_vs_t.GPU_DPFP with dist_pbc_vs_t PASSED ============================================================== cd nmropt/pme/jar_torsion/ && ./Run.jar_torsion DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing jartorsion_pbc.dat.GPU_DPFP with jartorsion_pbc.dat PASSED ============================================================== cd nmropt/pme/nmropt_1_torsion/ && ./Run.nmropt_1_torsion DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing torsion_pbc.dat.GPU_DPFP with torsion_pbc.dat PASSED ============================================================== cd nmropt/pme/tautp/ && ./Run.nmropt_1tautp_pbc DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== cd nmropt/pme/temp/ && ./Run.nmropt_1temp_pbc DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== cd tip4pew/ && ./Run.tip4pew_box_nvt DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.tip4pew_box_nvt.GPU_DPFP with mdout.tip4pew_box_nvt PASSED ============================================================== cd tip4pew/ && ./Run.tip4pew_box_npt DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.tip4pew_box_npt.GPU_DPFP with mdout.tip4pew_box_npt PASSED ============================================================== cd tip4pew/ && ./Run.tip4pew_oct_nvt DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.tip4pew_oct_nvt.GPU_DPFP with mdout.tip4pew_oct_nvt PASSED ============================================================== cd tip4pew/ && ./Run.tip4pew_oct_npt DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.tip4pew_oct_npt.GPU_DPFP with mdout.tip4pew_oct_npt PASSED ============================================================== cd tip4pew/ && ./Run.tip4pew_box_npt_mcbar DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.tip4pew_box_npt_mcbar.GPU_DPFP with mdout.tip4pew_box_npt_mcbar PASSED ============================================================== cd tip4pew/ && ./Run.tip4pew_oct_npt_mcbar DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.tip4pew_oct_npt_mcbar.GPU_DPFP with mdout.tip4pew_oct_npt_mcbar PASSED ============================================================== cd tip5p/ && ./Run.tip5p_box_nvt DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.tip5p_box_nvt.GPU_DPFP with mdout.tip5p_box_nvt PASSED ============================================================== cd tip5p/ && ./Run.tip5p_box_npt DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.tip5p_box_npt.GPU_DPFP with mdout.tip5p_box_npt PASSED ============================================================== cd tip5p/ && ./Run.tip5p_oct_nvt DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.tip5p_oct_nvt.GPU_DPFP with mdout.tip5p_oct_nvt PASSED ============================================================== cd tip5p/ && ./Run.tip5p_oct_npt DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.tip5p_oct_npt.GPU_DPFP with mdout.tip5p_oct_npt PASSED ============================================================== cd HMR/ && ./Run.HMR DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== cd lipid_npt_tests/ && ./Run_npt_isotropic.lipid14 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout_npt_isotropic_lipid14.GPU_DPFP with mdout_npt_isotropic_lipid14 PASSED ============================================================== cd lipid_npt_tests/ && ./Run_npt_anisotropic.lipid14 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing mdout_npt_anisotropic_lipid14.GPU_DPFP with mdout_npt_anisotropic_lipid14 PASSED ============================================================== cd lipid_npt_tests/ && ./Run_npt_semiisotropic.lipid14 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout_npt_semiisotropic_lipid14.GPU_DPFP with mdout_npt_semiisotropic_lipid14 PASSED ============================================================== cd ff19SB/ && ./Run DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.GPU_DPFP.save with mdout.GPU_DPFP PASSED ============================================================== ------------------------------------ Running CUDA Explicit solvent tests. Precision Model = DPFP ------------------------------------ cd 4096wat/ && ./Run.vrand DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.vrand.GPU_DPFP with mdout.vrand PASSED ============================================================== cd 4096wat_oct/ && ./Run.pure_wat_oct_NVT_NTT2 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.pure_wat_oct_nvt_ntt2.GPU_DPFP with mdout.pure_wat_oct_nvt_ntt2 PASSED ============================================================== diffing mdcrd.pure_wat_oct_nvt_ntt2.GPU_DPFP with mdcrd.pure_wat_oct_nvt_ntt2 PASSED ============================================================== cd 4096wat_oct/ && ./Run.pure_wat_oct_NVT_NTT3 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.pure_wat_oct_nvt_ntt3.GPU_DPFP with mdout.pure_wat_oct_nvt_ntt3 PASSED ============================================================== diffing mdcrd.pure_wat_oct_nvt_ntt3.GPU_DPFP with mdcrd.pure_wat_oct_nvt_ntt3 PASSED ============================================================== cd dhfr/ && ./Run.dhfr.ntb2_ntt3 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.dhfr.ntb2_ntt3.GPU_DPFP with mdout.dhfr.ntb2_ntt3 PASSED ============================================================== cd ips/ && ./Run.ips_ntt3 DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL diffing mdout.ips_ntt3.GPU_DPFP with mdout.ips_ntt3 PASSED ============================================================== cd npt_ntr_ntt3_oct/ && ./Run.ntp1 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.ntp1.GPU_DPFP with mdout.ntp1 PASSED ============================================================== cd dhfr/ && ./Run.dhfr.min DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.dhfr.min.GPU_DPFP with mdout.dhfr.min PASSED ============================================================== cd mcwat && ./Run.mcwat DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.mcwat.GPU_DPFP with mdout.mcwat PASSED ============================================================== cd chamber/dhfr_pbc/ && ./Run.dhfr_pbc_charmm_noshake.min DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing mdout.dhfr_charmm_pbc_noshake_min.GPU_DPFP with mdout.dhfr_charmm_pbc_noshake_min PASSED ============================================================== cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm.min DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing mdout.dhfr_charmm_pbc_min.GPU_DPFP with mdout.dhfr_charmm_pbc_min PASSED ============================================================== cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm_noshake.min DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_DENORMAL diffing mdout.dhfr_charmm_pbc_noshake_min.GPU_DPFP with mdout.dhfr_charmm_pbc_noshake_min PASSED ============================================================== cd cnstph/explicit/ && ./Run.cnstph DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing cpout.GPU_DPFP with cpout PASSED ============================================================== cd cnste/explicit/ && ./Run.cnste DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing ceout.GPU_DPFP with ceout PASSED ============================================================== cd cnstphe/explicit/ && ./Run.cnstphe DPFP /home/tony/amber18/include/netcdf.mod Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing mdout.GPU_DPFP with mdout PASSED ============================================================== diffing cpout.GPU_DPFP with cpout PASSED ============================================================== diffing ceout.GPU_DPFP with ceout PASSED ============================================================== cd nfe/ && ./run-pmemd-serial.sh DPFP /home/tony/amber18/include/netcdf.mod >>>>>>> doing 'abmd_ANALYSIS' diffing save.pmemd/mdout with mdout PASSED ============================================================== diffing save.pmemd/monitor.txt with monitor.txt PASSED ============================================================== >>>>>>> doing 'abmd_FLOODING' diffing save.pmemd/mdout with mdout PASSED ============================================================== diffing save.pmemd/monitor.txt with monitor.txt PASSED ============================================================== diffing save.pmemd/umbrella.save.ncdump with umbrella.ncdump PASSED ============================================================== diffing save.pmemd/wt_umbrella.save.ncdump with wt_umbrella.ncdump PASSED ============================================================== >>>>>>> doing 'abmd_UMBRELLA' diffing save.pmemd/mdout with mdout PASSED ============================================================== diffing save.pmemd/monitor.txt with monitor.txt PASSED ============================================================== >>>>>>> doing 'smd' diffing save.pmemd/mdout with mdout PASSED ============================================================== diffing save.pmemd/smd.txt with smd.txt PASSED ============================================================== >>>>>>> doing 'smd2' diffing save.pmemd/mdout with mdout PASSED ============================================================== diffing save.pmemd/work.DPFP.txt with work.txt PASSED ============================================================== >>>>>>> doing 'pmd' Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing save.pmemd/mdout with mdout PASSED ============================================================== diffing save.pmemd/pmd.txt with pmd.txt PASSED ============================================================== cd cellulose/ && ./Run.cellulose_nvt_256_128_128 DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.cellulose_nvt_256_128_128.GPU_DPFP with mdout.cellulose_nvt_256_128_128 PASSED ============================================================== cd cellulose/ && ./Run.cellulose_nvt DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.cellulose_nvt.GPU_DPFP with mdout.cellulose_nvt PASSED ============================================================== cd cellulose/ && ./Run.cellulose_npt DPFP /home/tony/amber18/include/netcdf.mod diffing mdout.cellulose_npt.GPU_DPFP with mdout.cellulose_npt PASSED ============================================================== ------------------------------------ Running CUDA GTI free energy tests. cd gti/Na/ && ./Run.NVE DPFP /home/tony/amber18/test/cuda/gti/Na cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NVE: Program error make[3]: [Makefile:213: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/Na/ && ./Run.NVT_ntt1 DPFP /home/tony/amber18/test/cuda/gti/Na cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NVT_ntt1: Program error make[3]: [Makefile:214: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/Na/ && ./Run.NVT_ntt3 DPFP /home/tony/amber18/test/cuda/gti/Na cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NVT_ntt3: Program error make[3]: [Makefile:215: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/Na/ && ./Run.NPT_BR DPFP /home/tony/amber18/test/cuda/gti/Na cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NPT_BR: Program error make[3]: [Makefile:216: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/Na/ && ./Run.NPT_MC DPFP /home/tony/amber18/test/cuda/gti/Na cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NPT_MC: Program error make[3]: [Makefile:217: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/Na/ && ./Run.SC_NVE DPFP /home/tony/amber18/test/cuda/gti/Na cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVE: Program error make[3]: [Makefile:218: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/Na/ && ./Run.SC_NVT DPFP /home/tony/amber18/test/cuda/gti/Na cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT: Program error make[3]: [Makefile:219: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/Na/ && ./Run.SC_NVT_MBAR DPFP /home/tony/amber18/test/cuda/gti/Na cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT_MBAR: Program error make[3]: [Makefile:220: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/ligand/ && ./Run.NVE DPFP /home/tony/amber18/test/cuda/gti/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NVE: Program error make[3]: [Makefile:221: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/ligand/ && ./Run.NVT_ntt1 DPFP /home/tony/amber18/test/cuda/gti/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NVT_ntt1: Program error make[3]: [Makefile:222: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/ligand/ && ./Run.NVT_ntt3 DPFP /home/tony/amber18/test/cuda/gti/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NVT_ntt3: Program error make[3]: [Makefile:223: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/ligand/ && ./Run.NPT_BR DPFP /home/tony/amber18/test/cuda/gti/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NPT_BR: Program error make[3]: [Makefile:224: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/ligand/ && ./Run.NPT_MC DPFP /home/tony/amber18/test/cuda/gti/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NPT_MC: Program error make[3]: [Makefile:225: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/ligand/ && ./Run.SC_NVE DPFP /home/tony/amber18/test/cuda/gti/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVE: Program error make[3]: [Makefile:226: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/ligand/ && ./Run.SC_NVT DPFP /home/tony/amber18/test/cuda/gti/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT: Program error make[3]: [Makefile:227: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/ligand/ && ./Run.SC_NVT_MBAR DPFP /home/tony/amber18/test/cuda/gti/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT_MBAR: Program error make[3]: [Makefile:228: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/complex/ && ./Run.NVE DPFP /home/tony/amber18/test/cuda/gti/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NVE: Program error make[3]: [Makefile:229: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/complex/ && ./Run.NVT_ntt1 DPFP /home/tony/amber18/test/cuda/gti/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NVT_ntt1: Program error make[3]: [Makefile:230: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/complex/ && ./Run.NVT_ntt3 DPFP /home/tony/amber18/test/cuda/gti/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NVT_ntt3: Program error make[3]: [Makefile:231: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/complex/ && ./Run.NPT_BR DPFP /home/tony/amber18/test/cuda/gti/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NPT_BR: Program error make[3]: [Makefile:232: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/complex/ && ./Run.NPT_MC DPFP /home/tony/amber18/test/cuda/gti/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NPT_MC: Program error make[3]: [Makefile:233: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/complex/ && ./Run.SC_NVE DPFP /home/tony/amber18/test/cuda/gti/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVE: Program error make[3]: [Makefile:234: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/complex/ && ./Run.SC_NVT DPFP /home/tony/amber18/test/cuda/gti/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT: Program error make[3]: [Makefile:235: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/1264/MgMD && ./Run.NVT DPFP /home/tony/amber18/test/cuda/gti/1264/MgMD Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing md_NVT_ntt1.o.DPFP with md_NVT_ntt1.o PASSED ============================================================== cd gti/1264/2ionMD && ./Run.NVT DPFP /home/tony/amber18/test/cuda/gti/1264/2ionMD Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL diffing md_NVT_ntt1.o.DPFP with md_NVT_ntt1.o PASSED ============================================================== cd gti/1264/Mg2Zn && ./Run.NVT DPFP /home/tony/amber18/test/cuda/gti/1264/Mg2Zn cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NVT: Program error make[3]: [Makefile:238: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/AFE_TI/campTI && ./Run.campTI DPFP /home/tony/amber18/test/cuda/gti/AFE_TI/campTI cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.campTI: Program error make[3]: [Makefile:239: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/AFE_TI/softcore/complex && ./Run.complex DPFP /home/tony/amber18/test/cuda/gti/AFE_TI/softcore/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.complex: Program error make[3]: [Makefile:240: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/AFE_TI/softcore/electro && ./Run.electro DPFP /home/tony/amber18/test/cuda/gti/AFE_TI/softcore/electro cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.electro: Program error make[3]: [Makefile:241: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/AFE_TI/softcore/dynlmb && ./Run.dynlmb DPFP /home/tony/amber18/test/cuda/gti/AFE_TI/softcore/dynlmb cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.dynlmb: Program error make[3]: [Makefile:242: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/AFE_MBAR/campMBAR && ./Run.campMBAR DPFP /home/tony/amber18/test/cuda/gti/AFE_MBAR/campMBAR cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.campMBAR: Program error make[3]: [Makefile:243: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/AFE_MBAR/softcore/complex && ./Run.complex DPFP /home/tony/amber18/test/cuda/gti/AFE_MBAR/softcore/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.complex: Program error make[3]: [Makefile:244: test.pmemd.cuda.gti] Error 1 (no tiene efecto) cd gti/AFE_MBAR/softcore/electro && ./Run.electro DPFP /home/tony/amber18/test/cuda/gti/AFE_MBAR/softcore/electro cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.electro: Program error make[3]: [Makefile:245: test.pmemd.cuda.gti] Error 1 (no tiene efecto) ------------------------------------ Running CUDA GTI free energy SC correction tests. cd gti/SC_Correction/methane_2_methanol/ && SC_CORR=0 ./Run.NVT_ntt3 DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/methane_2_methanol cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NVT_ntt3: Program error make[3]: [Makefile:251: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/methane_2_methanol/ && SC_CORR=-1 ./Run.NVT_ntt3 DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/methane_2_methanol cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NVT_ntt3: Program error make[3]: [Makefile:252: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/methane_2_methanol/ && SC_CORR=1 ./Run.NVT_ntt3 DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/methane_2_methanol cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NVT_ntt3: Program error make[3]: [Makefile:253: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/methane_2_methanol/ && SC_CORR=2 ./Run.NVT_ntt3 DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/methane_2_methanol cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.NVT_ntt3: Program error make[3]: [Makefile:254: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/ligand/ && SC_CORR=0 ./Run.SC_NVE DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVE: Program error make[3]: [Makefile:255: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/ligand/ && SC_CORR=-1 ./Run.SC_NVE DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVE: Program error make[3]: [Makefile:256: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/ligand/ && SC_CORR=1 ./Run.SC_NVE DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVE: Program error make[3]: [Makefile:257: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/ligand/ && SC_CORR=2 ./Run.SC_NVE DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVE: Program error make[3]: [Makefile:258: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/ligand/ && SC_CORR=0 ./Run.SC_NVT DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT: Program error make[3]: [Makefile:259: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/ligand/ && SC_CORR=-1 ./Run.SC_NVT DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT: Program error make[3]: [Makefile:260: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/ligand/ && SC_CORR=1 ./Run.SC_NVT DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT: Program error make[3]: [Makefile:261: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/ligand/ && SC_CORR=2 ./Run.SC_NVT DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT: Program error make[3]: [Makefile:262: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/ligand/ && SC_CORR=0 ./Run.SC_NVT_MBAR DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT_MBAR: Program error make[3]: [Makefile:263: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/ligand/ && SC_CORR=-1 ./Run.SC_NVT_MBAR DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT_MBAR: Program error make[3]: [Makefile:264: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/ligand/ && SC_CORR=1 ./Run.SC_NVT_MBAR DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT_MBAR: Program error make[3]: [Makefile:265: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/ligand/ && SC_CORR=2 ./Run.SC_NVT_MBAR DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT_MBAR: Program error make[3]: [Makefile:266: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/complex/ && SC_CORR=0 ./Run.SC_NVE DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVE: Program error make[3]: [Makefile:267: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/complex/ && SC_CORR=-1 ./Run.SC_NVE DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVE: Program error make[3]: [Makefile:268: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/complex/ && SC_CORR=1 ./Run.SC_NVE DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVE: Program error make[3]: [Makefile:269: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/complex/ && SC_CORR=2 ./Run.SC_NVE DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVE: Program error make[3]: [Makefile:270: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/complex/ && SC_CORR=0 ./Run.SC_NVT DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT: Program error make[3]: [Makefile:271: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/complex/ && SC_CORR=-1 ./Run.SC_NVT DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT: Program error make[3]: [Makefile:272: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/complex/ && SC_CORR=1 ./Run.SC_NVT DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT: Program error make[3]: [Makefile:273: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/complex/ && SC_CORR=2 ./Run.SC_NVT DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT: Program error make[3]: [Makefile:274: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/complex/ && SC_CORR=0 ./Run.SC_NVT_MBAR DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT_MBAR: Program error make[3]: [Makefile:275: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/complex/ && SC_CORR=-1 ./Run.SC_NVT_MBAR DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT_MBAR: Program error make[3]: [Makefile:276: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/complex/ && SC_CORR=1 ./Run.SC_NVT_MBAR DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT_MBAR: Program error make[3]: [Makefile:277: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) cd gti/SC_Correction/complex/ && SC_CORR=2 ./Run.SC_NVT_MBAR DPFP /home/tony/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpy GpuBuffer::Upload failed invalid argument ./Run.SC_NVT_MBAR: Program error make[3]: [Makefile:278: test.pmemd.cuda.SC_Correction] Error 1 (no tiene efecto) make[3]: se sale del directorio '/home/tony/amber18/test/cuda' make[2]: se sale del directorio '/home/tony/amber18/test' 168 file comparisons passed 5 file comparisons failed (0 ignored) 118 tests experienced errors