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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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6
lib/gpu/lal_tersoff_zbl_ext.cpp
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@ -70,7 +70,7 @@ int tersoff_zbl_gpu_init(const int ntypes, const int inum, const int nall,
int init_ok=0;
if (world_me==0)
init_ok=TSZMF.init(ntypes, inum, nall, 300, cell_size, gpu_split, screen,
init_ok=TSZMF.init(ntypes, inum, nall, max_nbors, cell_size, gpu_split, screen,
host_map, nelements, host_elem2param, nparams,
ts_lam1, ts_lam2, ts_lam3, ts_powermint,
ts_biga, ts_bigb, ts_bigr, ts_bigd,
@ -93,7 +93,7 @@ int tersoff_zbl_gpu_init(const int ntypes, const int inum, const int nall,
fflush(screen);
}
if (gpu_rank==i && world_me!=0)
init_ok=TSZMF.init(ntypes, inum, nall, 300, cell_size, gpu_split, screen,
init_ok=TSZMF.init(ntypes, inum, nall, max_nbors, cell_size, gpu_split, screen,
host_map, nelements, host_elem2param, nparams,
ts_lam1, ts_lam2, ts_lam3, ts_powermint,
ts_biga, ts_bigb, ts_bigr, ts_bigd,
@ -110,7 +110,7 @@ int tersoff_zbl_gpu_init(const int ntypes, const int inum, const int nall,
fprintf(screen,"\n");
if (init_ok==0)
TSZMF.estimate_gpu_overhead();
TSZMF.estimate_gpu_overhead(1);
return init_ok;
}