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Feb2021 GPU Package Update - GPU Package Files

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This commit is contained in:
Michael Brown
2021-02-15 08:20:50 -08:00
parent 16004e8f45
commit e7e2d2323b
345 changed files with 13424 additions and 7708 deletions
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lib/gpu/lal_lj_sdk_long_ext.cpp
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@ -58,7 +58,7 @@ int sdkl_gpu_init(const int ntypes, double **cutsq, int **cg_type,
int init_ok=0;
if (world_me==0)
init_ok=CMMLMF.init(ntypes, cutsq, cg_type, host_lj1, host_lj2, host_lj3,
host_lj4, offset, special_lj, inum, nall, 300,
host_lj4, offset, special_lj, inum, nall, max_nbors,
maxspecial, cell_size, gpu_split, screen, host_cut_ljsq,
host_cut_coulsq, host_special_coul, qqrd2e,g_ewald);
@ -77,7 +77,7 @@ int sdkl_gpu_init(const int ntypes, double **cutsq, int **cg_type,
}
if (gpu_rank==i && world_me!=0)
init_ok=CMMLMF.init(ntypes, cutsq, cg_type, host_lj1, host_lj2, host_lj3,
host_lj4, offset, special_lj, inum, nall, 300,
host_lj4, offset, special_lj, inum, nall, max_nbors,
maxspecial, cell_size, gpu_split, screen,
host_cut_ljsq, host_cut_coulsq, host_special_coul,
qqrd2e, g_ewald);