make[2]: Entering directory `/usr/local/amber18/test' cd cuda && make -k test.pmemd.cuda PREC_MODEL=DPFP make[3]: Entering directory `/usr/local/amber18/test/cuda' ------------------------------------ Running CUDA Implicit solvent tests. Precision Model = DPFP ------------------------------------ cd gb_ala3/ && ./Run.igb1_ntc1_min DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.igb1_ntc1_min: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb1_ntc1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest1_ntt0_igb1_ntc1: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest0_ntt0_igb1_ntc1_hotstart DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest0_ntt0_igb1_ntc1_hotstart: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest0_ntt0_igb1_ntc1_coldstart DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest0_ntt0_igb1_ntc1_coldstart: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb1_ntc2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest1_ntt0_igb1_ntc2: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb2_ntc1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest1_ntt0_igb2_ntc1: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb2_ntc2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest1_ntt0_igb2_ntc2: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest1_ntt0_igb5_ntc1: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb7_ntc2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest1_ntt0_igb7_ntc2: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb8_ntc2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest1_ntt0_igb8_ntc2: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest1_ntt0_igb5_ntc2: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_ntr1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest1_ntt0_igb5_ntc2_ntr1: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_saltcon DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest1_ntt0_igb5_ntc2_saltcon: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_rgbmax DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest1_ntt0_igb5_ntc2_rgbmax: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt0_igb5_ntc2_alpb DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest1_ntt0_igb5_ntc2_alpb: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt1_igb1_ntc2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest1_ntt1_igb1_ntc2: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt2_igb1_ntc2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest1_ntt2_igb1_ntc2: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd gb_ala3/ && ./Run.irest1_ntt3_igb1_ntc2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.irest1_ntt3_igb1_ntc2: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd nmropt/gb/multi-angle/ && ./Run.nmropt_2angle_gb DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.nmropt_2angle_gb: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd chamber/dhfr/ && ./Run.dhfr_charmm.min DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr_charmm.min: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd chamber/dhfr_cmap/ && ./Run.dhfr_charmm.min DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr_charmm.min: Program error make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored) cd nucleosome/ && ./Run_min.1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run_min.1: Program error 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 /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run_md_trpcage: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd myoglobin/ && ./Run_md_myoglobin DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run_md_myoglobin: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd myoglobin/ && ./Run_md_myoglobin_igb7 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run_md_myoglobin_igb7: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd myoglobin/ && ./Run_md_myoglobin_igb8 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run_md_myoglobin_igb8: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd myoglobin/ && ./Run_md_myoglobin_igb8_gbsa DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run_md_myoglobin_igb8_gbsa: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd cnstph/implicit/ && ./Run.cnstph DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.cnstph: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd cnste/implicit/ && ./Run.cnste DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.cnste: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd cnstphe/implicit/ && ./Run.cnstphe DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.cnstphe: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd chamber/dhfr/ && ./Run.dhfr_charmm.md DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr_charmm.md: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd chamber/dhfr_cmap/ && ./Run.dhfr_charmm.md DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr_charmm.md: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nucleosome/ && ./Run_md.1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run_md.1: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nucleosome/ && ./Run_md.2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run_md.2: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd gamd/rna_gb && ./Run.gb.gamd1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.gb.gamd1: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd gamd/rna_gb && ./Run.gb.gamd2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.gb.gamd2: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd gamd/rna_gb && ./Run.gb.gamd3 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.gb.gamd3: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd amd/rna_gb && ./Run.gb.amd1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.gb.amd1: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd amd/rna_gb && ./Run.gb.amd2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.gb.amd2: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd amd/rna_gb && ./Run.gb.amd3 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.gb.amd3: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/angle/ && ./Run.nmropt_1angle_gb DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.nmropt_1angle_gb: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/distance/ && ./Run.dist_gb DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol errori: label not found. make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/distance_COM/ && ./Run.distCOM_gb DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.distCOM_gb: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/distance_COM/ && ./Run.distr6av_gb DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.distr6av_gb: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/jar_distance_COM/ && ./Run.jar_gb DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.jar_gb: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/jar_distance/ && ./Run.jar_gb DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.jar_gb: Program Error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/jar_torsion/ && ./Run.jar_torsion DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.jar_torsion: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/nmropt_1_torsion/ && ./Run.nmropt_1_torsion DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.nmropt_1_torsion: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/tautp/ && ./Run.nmropt_1tautp_gb DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.nmropt_1tautp_gb: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) cd nmropt/gb/temp/ && ./Run.nmropt_1temp_gb DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.nmropt_1temp_gb: Program error make[3]: [test.pmemd.cuda.gb] Error 1 (ignored) --------------------------------------------- Running Extended CUDA Explicit solvent tests. Precision Model = DPFP --------------------------------------------- cd FactorIX_NVE/ && ./Run.FactorIX_NVE DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.FactorIX_NVE: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd 4096wat/ && ./Run.pure_wat DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.pure_wat: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd 4096wat/ && ./Run.pure_wat_fswitch DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.pure_wat_fswitch: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd 4096wat/ && ./Run.pure_wat_efield DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.pure_wat_efield: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd 4096wat_oct/ && ./Run.pure_wat_oct_NVE DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.pure_wat_oct_NVE: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd 4096wat_oct/ && ./Run.pure_wat_oct_NVT_NTT1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.pure_wat_oct_NVT_NTT1: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd 4096wat_oct/ && ./Run.pure_wat_oct_NPT_NTT1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.pure_wat_oct_NPT_NTT1: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd large_solute_count/ && ./Run.ntb2_ntt1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.ntb2_ntt1: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd jac/ && ./Run.jac DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.jac: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd dhfr/ && ./Run.dhfr DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd dhfr/ && ./Run.dhfr.ntr1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr.ntr1: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd dhfr/ && ./Run.dhfr.ntb2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr.ntb2: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd dhfr/ && ./Run.dhfr.ntb2_ntt1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr.ntb2_ntt1: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd dhfr/ && ./Run.dhfr.ntb2_ntt1_ntr1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr.ntb2_ntt1_ntr1: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd dhfr/ && ./Run.dhfr.noshake DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr.noshake: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd chamber/dhfr_pbc/ && ./Run.dhfr_pbc_charmm_noshake.md DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr_pbc_charmm_noshake.md: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm.md DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr_cmap_pbc_charmm.md: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm_NPT.md DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr_cmap_pbc_charmm_NPT.md: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm_noshake.md DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr_cmap_pbc_charmm_noshake.md: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd ips/ && ./Run.ips DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.ips: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd gamd/dhfr_pme && ./Run.pme.gamd1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.pme.gamd1: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd gamd/dhfr_pme && ./Run.pme.gamd2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.pme.gamd2: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd gamd/dhfr_pme && ./Run.pme.gamd3 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.pme.gamd3: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd amd/dhfr_pme && ./Run.pme.amd1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.pme.amd1: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd amd/dhfr_pme && ./Run.pme.amd2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.pme.amd2: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd amd/dhfr_pme && ./Run.pme.amd3 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.pme.amd3: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd amd/gact_ips && ./Run.ips.amd1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.ips.amd1: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd amd/gact_ips && ./Run.ips.amd2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.ips.amd2: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd amd/gact_ips && ./Run.ips.amd3 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.ips.amd3: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd scaledMD && ./Run.scaledMD DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.scaledMD: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/angle/ && ./Run.nmropt_1angle_pbc DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.nmropt_1angle_pbc: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/distance/ && ./Run.dist_pbc DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dist_pbc: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/distance_COM/ && ./Run.distCOM_pbc DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.distCOM_pbc: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/distance_COM/ && ./Run.multi-distCOM-multi-dist_pbc DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.multi-distCOM-multi-dist_pbc: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/distance_COM/ && ./Run.multi-distr6av_pbc DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.multi-distr6av_pbc: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/jar_distance_COM/ && ./Run.jar_pbc DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.jar_pbc: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/jar_distance/ && ./Run.jar_pbc DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.jar_pbc: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/jar_torsion/ && ./Run.jar_torsion DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.jar_torsion: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/nmropt_1_torsion/ && ./Run.nmropt_1_torsion DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.nmropt_1_torsion: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/tautp/ && ./Run.nmropt_1tautp_pbc DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.nmropt_1tautp_pbc: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd nmropt/pme/temp/ && ./Run.nmropt_1temp_pbc DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.nmropt_1temp_pbc: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip4pew/ && ./Run.tip4pew_box_nvt DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.tip4pew_box_nvt: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip4pew/ && ./Run.tip4pew_box_npt DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.tip4pew_box_npt: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip4pew/ && ./Run.tip4pew_oct_nvt DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.tip4pew_oct_nvt: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip4pew/ && ./Run.tip4pew_oct_npt DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.tip4pew_oct_npt: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip4pew/ && ./Run.tip4pew_box_npt_mcbar DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.tip4pew_box_npt_mcbar: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip4pew/ && ./Run.tip4pew_oct_npt_mcbar DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.tip4pew_oct_npt_mcbar: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip5p/ && ./Run.tip5p_box_nvt DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.tip5p_box_nvt: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip5p/ && ./Run.tip5p_box_npt DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.tip5p_box_npt: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip5p/ && ./Run.tip5p_oct_nvt DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.tip5p_oct_nvt: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd tip5p/ && ./Run.tip5p_oct_npt DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.tip5p_oct_npt: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd HMR/ && ./Run.HMR DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.HMR: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd lipid_npt_tests/ && ./Run_npt_isotropic.lipid14 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run_npt_isotropic.lipid14: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd lipid_npt_tests/ && ./Run_npt_anisotropic.lipid14 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run_npt_anisotropic.lipid14: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd lipid_npt_tests/ && ./Run_npt_semiisotropic.lipid14 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run_npt_semiisotropic.lipid14: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) cd ff19SB/ && ./Run DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run: Program error make[3]: [test.pmemd.cuda.pme] Error 1 (ignored) ------------------------------------ Running CUDA Explicit solvent tests. Precision Model = DPFP ------------------------------------ cd 4096wat/ && ./Run.vrand DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.vrand: Program error make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd 4096wat_oct/ && ./Run.pure_wat_oct_NVT_NTT2 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.pure_wat_oct_NVT_NTT2: Program error make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd 4096wat_oct/ && ./Run.pure_wat_oct_NVT_NTT3 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.pure_wat_oct_NVT_NTT3: Program error make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd dhfr/ && ./Run.dhfr.ntb2_ntt3 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr.ntb2_ntt3: Program error make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd ips/ && ./Run.ips_ntt3 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.ips_ntt3: Program error make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd npt_ntr_ntt3_oct/ && ./Run.ntp1 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.ntp1: Program error make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd dhfr/ && ./Run.dhfr.min DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr.min: Program error make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd mcwat && ./Run.mcwat DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.mcwat: Program error make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd chamber/dhfr_pbc/ && ./Run.dhfr_pbc_charmm_noshake.min DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr_pbc_charmm_noshake.min: Program error make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm.min DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr_cmap_pbc_charmm.min: Program error make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd chamber/dhfr_cmap_pbc/ && ./Run.dhfr_cmap_pbc_charmm_noshake.min DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dhfr_cmap_pbc_charmm_noshake.min: Program error make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd cnstph/explicit/ && ./Run.cnstph DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.cnstph: Program error make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd cnste/explicit/ && ./Run.cnste DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.cnste: Program error make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd cnstphe/explicit/ && ./Run.cnstphe DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.cnstphe: Program error make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored) cd nfe/ && ./run-pmemd-serial.sh DPFP /usr/local/amber18/include/netcdf.mod >>>>>>> doing 'abmd_ANALYSIS' 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' diffing save.pmemd/mdout with mdout file ddtmp.mdout is short possible FAILURE: check mdout.dif ============================================================== possible FAILURE: file monitor.txt does not exist. ============================================================== /usr/local/amber18/bin/ncdump: umbrella.nc: No such file or directory ncgen: - line 1: syntax error, unexpected $end, expecting NETCDF /usr/local/amber18/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 ============================================================== /usr/local/amber18/bin/ncdump: wt_umbrella.nc: No such file or directory ncgen: - line 1: syntax error, unexpected $end, expecting NETCDF /usr/local/amber18/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' 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' 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' 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' 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 cellulose/ && ./Run.cellulose_nvt_256_128_128 DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.cellulose_nvt_256_128_128: Program error make[3]: [test.pmemd.cuda.pme.big] Error 1 (ignored) cd cellulose/ && ./Run.cellulose_nvt DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.cellulose_nvt: Program error make[3]: [test.pmemd.cuda.pme.big] Error 1 (ignored) cd cellulose/ && ./Run.cellulose_npt DPFP /usr/local/amber18/include/netcdf.mod cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.cellulose_npt: Program error make[3]: [test.pmemd.cuda.pme.big] Error 1 (ignored) ------------------------------------ Running CUDA GTI free energy tests. cd gti/Na/ && ./Run.NVE DPFP /usr/local/amber18/test/cuda/gti/Na cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVE: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/Na/ && ./Run.NVT_ntt1 DPFP /usr/local/amber18/test/cuda/gti/Na cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVT_ntt1: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/Na/ && ./Run.NVT_ntt3 DPFP /usr/local/amber18/test/cuda/gti/Na cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVT_ntt3: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/Na/ && ./Run.NPT_BR DPFP /usr/local/amber18/test/cuda/gti/Na cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NPT_BR: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/Na/ && ./Run.NPT_MC DPFP /usr/local/amber18/test/cuda/gti/Na cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NPT_MC: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/Na/ && ./Run.SC_NVE DPFP /usr/local/amber18/test/cuda/gti/Na cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVE: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/Na/ && ./Run.SC_NVT DPFP /usr/local/amber18/test/cuda/gti/Na cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/Na/ && ./Run.SC_NVT_MBAR DPFP /usr/local/amber18/test/cuda/gti/Na cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT_MBAR: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/ligand/ && ./Run.NVE DPFP /usr/local/amber18/test/cuda/gti/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVE: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/ligand/ && ./Run.NVT_ntt1 DPFP /usr/local/amber18/test/cuda/gti/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVT_ntt1: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/ligand/ && ./Run.NVT_ntt3 DPFP /usr/local/amber18/test/cuda/gti/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVT_ntt3: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/ligand/ && ./Run.NPT_BR DPFP /usr/local/amber18/test/cuda/gti/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NPT_BR: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/ligand/ && ./Run.NPT_MC DPFP /usr/local/amber18/test/cuda/gti/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NPT_MC: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/ligand/ && ./Run.SC_NVE DPFP /usr/local/amber18/test/cuda/gti/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVE: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/ligand/ && ./Run.SC_NVT DPFP /usr/local/amber18/test/cuda/gti/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/ligand/ && ./Run.SC_NVT_MBAR DPFP /usr/local/amber18/test/cuda/gti/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT_MBAR: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/complex/ && ./Run.NVE DPFP /usr/local/amber18/test/cuda/gti/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVE: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/complex/ && ./Run.NVT_ntt1 DPFP /usr/local/amber18/test/cuda/gti/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVT_ntt1: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/complex/ && ./Run.NVT_ntt3 DPFP /usr/local/amber18/test/cuda/gti/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVT_ntt3: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/complex/ && ./Run.NPT_BR DPFP /usr/local/amber18/test/cuda/gti/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NPT_BR: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/complex/ && ./Run.NPT_MC DPFP /usr/local/amber18/test/cuda/gti/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NPT_MC: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/complex/ && ./Run.SC_NVE DPFP /usr/local/amber18/test/cuda/gti/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVE: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/complex/ && ./Run.SC_NVT DPFP /usr/local/amber18/test/cuda/gti/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/1264/MgMD && ./Run.NVT DPFP /usr/local/amber18/test/cuda/gti/1264/MgMD cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVT: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/1264/2ionMD && ./Run.NVT DPFP /usr/local/amber18/test/cuda/gti/1264/2ionMD cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVT: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/1264/Mg2Zn && ./Run.NVT DPFP /usr/local/amber18/test/cuda/gti/1264/Mg2Zn cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVT: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/AFE_TI/campTI && ./Run.campTI DPFP /usr/local/amber18/test/cuda/gti/AFE_TI/campTI cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.campTI: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/AFE_TI/softcore/complex && ./Run.complex DPFP /usr/local/amber18/test/cuda/gti/AFE_TI/softcore/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.complex: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/AFE_TI/softcore/electro && ./Run.electro DPFP /usr/local/amber18/test/cuda/gti/AFE_TI/softcore/electro cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.electro: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/AFE_TI/softcore/dynlmb && ./Run.dynlmb DPFP /usr/local/amber18/test/cuda/gti/AFE_TI/softcore/dynlmb cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.dynlmb: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/AFE_MBAR/campMBAR && ./Run.campMBAR DPFP /usr/local/amber18/test/cuda/gti/AFE_MBAR/campMBAR cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.campMBAR: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/AFE_MBAR/softcore/complex && ./Run.complex DPFP /usr/local/amber18/test/cuda/gti/AFE_MBAR/softcore/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.complex: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) cd gti/AFE_MBAR/softcore/electro && ./Run.electro DPFP /usr/local/amber18/test/cuda/gti/AFE_MBAR/softcore/electro cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.electro: Program error make[3]: [test.pmemd.cuda.gti] Error 1 (ignored) ------------------------------------ Running CUDA GTI free energy SC correction tests. cd gti/SC_Correction/methane_2_methanol/ && SC_CORR=0 ./Run.NVT_ntt3 DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/methane_2_methanol cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVT_ntt3: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/methane_2_methanol/ && SC_CORR=-1 ./Run.NVT_ntt3 DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/methane_2_methanol cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVT_ntt3: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/methane_2_methanol/ && SC_CORR=1 ./Run.NVT_ntt3 DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/methane_2_methanol cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVT_ntt3: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/methane_2_methanol/ && SC_CORR=2 ./Run.NVT_ntt3 DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/methane_2_methanol cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.NVT_ntt3: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=0 ./Run.SC_NVE DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVE: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=-1 ./Run.SC_NVE DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVE: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=1 ./Run.SC_NVE DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVE: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=2 ./Run.SC_NVE DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVE: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=0 ./Run.SC_NVT DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=-1 ./Run.SC_NVT DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=1 ./Run.SC_NVT DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=2 ./Run.SC_NVT DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=0 ./Run.SC_NVT_MBAR DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT_MBAR: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=-1 ./Run.SC_NVT_MBAR DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT_MBAR: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=1 ./Run.SC_NVT_MBAR DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT_MBAR: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/ligand/ && SC_CORR=2 ./Run.SC_NVT_MBAR DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/ligand cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT_MBAR: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=0 ./Run.SC_NVE DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVE: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=-1 ./Run.SC_NVE DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVE: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=1 ./Run.SC_NVE DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVE: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=2 ./Run.SC_NVE DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVE: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=0 ./Run.SC_NVT DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=-1 ./Run.SC_NVT DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=1 ./Run.SC_NVT DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=2 ./Run.SC_NVT DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=0 ./Run.SC_NVT_MBAR DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT_MBAR: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=-1 ./Run.SC_NVT_MBAR DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT_MBAR: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=1 ./Run.SC_NVT_MBAR DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT_MBAR: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) cd gti/SC_Correction/complex/ && SC_CORR=2 ./Run.SC_NVT_MBAR DPFP /usr/local/amber18/test/cuda/gti/SC_Correction/complex cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol ./Run.SC_NVT_MBAR: Program error make[3]: [test.pmemd.cuda.SC_Correction] Error 1 (ignored) make[3]: Leaving directory `/usr/local/amber18/test/cuda' make[2]: Leaving directory `/usr/local/amber18/test' 0 file comparisons passed 14 file comparisons failed (0 ignored) 370 tests experienced errors