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This commit is contained in:
Gurgen
2021-05-12 00:14:27 +03:00
parent 5b8763c471
commit d3186b74f7
4 changed files with 71 additions and 39 deletions
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4
lib/gpu/lal_lj_smooth_ext.cpp
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@ -57,7 +57,7 @@ int ljsmt_gpu_init(const int ntypes, double **cutsq, double **host_lj1,
int init_ok=0;
if (world_me==0)
init_ok=LJSMTMF.init(ntypes, cutsq, 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_ljsw0, host_ljsw1, host_ljsw2, host_ljsw3, host_ljsw4, cut_inner, cut_inner_sq);
@ -76,7 +76,7 @@ int ljsmt_gpu_init(const int ntypes, double **cutsq, double **host_lj1,
}
if (gpu_rank==i && world_me!=0)
init_ok=LJSMTMF.init(ntypes, cutsq, host_lj1, host_lj2, host_lj3, host_lj4,
offset, special_lj, inum, nall, 300, maxspecial,
offset, special_lj, inum, nall, max_nbors, maxspecial,
cell_size, gpu_split, screen, host_ljsw0, host_ljsw1, host_ljsw2, host_ljsw3,
host_ljsw4, cut_inner, cut_inner_sq);