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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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4
lib/gpu/lal_coul_long_cs_ext.cpp
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@ -54,7 +54,7 @@ int clcs_gpu_init(const int ntypes, double **host_scale,
int init_ok=0;
if (world_me==0)
init_ok=CLCSMF.init(ntypes, host_scale, inum, nall, 300, maxspecial,
init_ok=CLCSMF.init(ntypes, host_scale, inum, nall, max_nbors, maxspecial,
cell_size, gpu_split, screen, host_cut_coulsq,
host_special_coul, qqrd2e, g_ewald);
@ -72,7 +72,7 @@ int clcs_gpu_init(const int ntypes, double **host_scale,
fflush(screen);
}
if (gpu_rank==i && world_me!=0)
init_ok=CLCSMF.init(ntypes, host_scale, inum, nall, 300, maxspecial,
init_ok=CLCSMF.init(ntypes, host_scale, inum, nall, max_nbors, maxspecial,
cell_size, gpu_split, screen, host_cut_coulsq,
host_special_coul, qqrd2e, g_ewald);