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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_coul_debye_ext.cpp
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@ -54,7 +54,7 @@ int cdebye_gpu_init(const int ntypes, double **host_scale, double **cutsq,
int init_ok=0;
if (world_me==0)
init_ok=CDEMF.init(ntypes, host_scale, cutsq, host_special_coul, inum, nall, 300,
init_ok=CDEMF.init(ntypes, host_scale, cutsq, host_special_coul, inum, nall, max_nbors,
maxspecial, cell_size, gpu_split, screen, qqrd2e, kappa);
CDEMF.device->world_barrier();
@ -71,7 +71,7 @@ int cdebye_gpu_init(const int ntypes, double **host_scale, double **cutsq,
fflush(screen);
}
if (gpu_rank==i && world_me!=0)
init_ok=CDEMF.init(ntypes, host_scale, cutsq, host_special_coul, inum, nall, 300,
init_ok=CDEMF.init(ntypes, host_scale, cutsq, host_special_coul, inum, nall, max_nbors,
maxspecial, cell_size, gpu_split, screen, qqrd2e, kappa);
CDEMF.device->gpu_barrier();