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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_eam_ext.cpp
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@ -67,7 +67,7 @@ int eam_gpu_init(const int ntypes, double host_cutforcesq,
init_ok=EAMMF.init(ntypes, host_cutforcesq, host_type2rhor, host_type2z2r,
host_type2frho, host_rhor_spline, host_z2r_spline,
host_frho_spline, rdr, rdrho, rhomax, nrhor, nrho, nz2r,
nfrho, nr, nlocal, nall, 300, maxspecial, cell_size,
nfrho, nr, nlocal, nall, max_nbors, maxspecial, cell_size,
gpu_split, screen);
EAMMF.device->world_barrier();
@ -87,7 +87,7 @@ int eam_gpu_init(const int ntypes, double host_cutforcesq,
init_ok=EAMMF.init(ntypes, host_cutforcesq, host_type2rhor, host_type2z2r,
host_type2frho, host_rhor_spline, host_z2r_spline,
host_frho_spline, rdr, rdrho, rhomax, nrhor, nrho,
nz2r, nfrho, nr, nlocal, nall, 300, maxspecial,
nz2r, nfrho, nr, nlocal, nall, max_nbors, maxspecial,
cell_size, gpu_split, screen);
EAMMF.device->gpu_barrier();
@ -98,7 +98,7 @@ int eam_gpu_init(const int ntypes, double host_cutforcesq,
fprintf(screen,"\n");
if (init_ok==0)
EAMMF.estimate_gpu_overhead();
EAMMF.estimate_gpu_overhead(1);
return init_ok;
}