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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2016-07-01 23:27:26 +00:00
parent 8366b35459
commit 9656958169
245 changed files with 4890 additions and 4832 deletions
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22
lib/gpu/lal_yukawa_ext.cpp
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@ -9,7 +9,7 @@
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
begin :
email : nguyentd@ornl.gov
***************************************************************************/
@ -28,9 +28,9 @@ static Yukawa<PRECISION,ACC_PRECISION> YKMF;
// Allocate memory on host and device and copy constants to device
// ---------------------------------------------------------------------------
int yukawa_gpu_init(const int ntypes, double **cutsq, double kappa,
double **host_a, double **offset, double *special_lj,
const int inum, const int nall, const int max_nbors,
const int maxspecial, const double cell_size,
double **host_a, double **offset, 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) {
YKMF.clear();
gpu_mode=YKMF.device->gpu_mode();
@ -54,8 +54,8 @@ int yukawa_gpu_init(const int ntypes, double **cutsq, double kappa,
int init_ok=0;
if (world_me==0)
init_ok=YKMF.init(ntypes, cutsq, kappa, host_a, offset, special_lj,
inum, nall, 300, maxspecial, cell_size,
init_ok=YKMF.init(ntypes, cutsq, kappa, host_a, offset, special_lj,
inum, nall, 300, maxspecial, cell_size,
gpu_split, screen);
YKMF.device->world_barrier();
@ -72,12 +72,12 @@ int yukawa_gpu_init(const int ntypes, double **cutsq, double kappa,
fflush(screen);
}
if (gpu_rank==i && world_me!=0)
init_ok=YKMF.init(ntypes, cutsq, kappa, host_a, offset, special_lj,
inum, nall, 300, maxspecial, cell_size,
init_ok=YKMF.init(ntypes, cutsq, kappa, host_a, offset, special_lj,
inum, nall, 300, maxspecial, cell_size,
gpu_split, screen);
YKMF.device->gpu_barrier();
if (message)
if (message)
fprintf(screen,"Done.\n");
}
if (message)
@ -102,8 +102,8 @@ int ** yukawa_gpu_compute_n(const int ago, const int inum_full,
return YKMF.compute(ago, inum_full, nall, host_x, host_type, sublo,
subhi, tag, nspecial, special, eflag, vflag, eatom,
vatom, host_start, ilist, jnum, cpu_time, success);
}
}
void yukawa_gpu_compute(const int ago, const int inum_full, const int nall,
double **host_x, int *host_type, int *ilist, int *numj,
int **firstneigh, const bool eflag, const bool vflag,