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Created another static instance for dpd/tstat in the GPU library

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This commit is contained in:
Trung Nguyen
2020-09-18 10:28:52 -05:00
parent de777ce994
commit 2c17652ad6
7 changed files with 192 additions and 36 deletions
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6
lib/gpu/lal_dpd_ext.cpp
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@ -29,7 +29,7 @@ static DPD<PRECISION,ACC_PRECISION> DPDMF;
// ---------------------------------------------------------------------------
int dpd_gpu_init(const int ntypes, double **cutsq, double **host_a0,
double **host_gamma, double **host_sigma, double **host_cut,
double *special_lj, bool tstat_only, const int inum,
double *special_lj, const int inum,
const int nall, const int max_nbors, const int maxspecial,
const double cell_size, int &gpu_mode, FILE *screen) {
DPDMF.clear();
@ -55,7 +55,7 @@ int dpd_gpu_init(const int ntypes, double **cutsq, double **host_a0,
int init_ok=0;
if (world_me==0)
init_ok=DPDMF.init(ntypes, cutsq, host_a0, host_gamma, host_sigma,
host_cut, special_lj, tstat_only, inum, nall, 300,
host_cut, special_lj, false, inum, nall, 300,
maxspecial, cell_size, gpu_split, screen);
DPDMF.device->world_barrier();
@ -73,7 +73,7 @@ int dpd_gpu_init(const int ntypes, double **cutsq, double **host_a0,
}
if (gpu_rank==i && world_me!=0)
init_ok=DPDMF.init(ntypes, cutsq, host_a0, host_gamma, host_sigma,
host_cut, special_lj, tstat_only, inum, nall, 300,
host_cut, special_lj, false, inum, nall, 300,
maxspecial, cell_size, gpu_split, screen);
DPDMF.device->gpu_barrier();