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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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24
lib/gpu/lal_buck_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
***************************************************************************/
@ -28,8 +28,8 @@ static Buck<PRECISION,ACC_PRECISION> BUCKMF;
// Allocate memory on host and device and copy constants to device
// ---------------------------------------------------------------------------
int buck_gpu_init(const int ntypes, double **cutsq, double **host_rhoinv,
double **host_buck1, double **host_buck2,
double **host_a, double **host_c,
double **host_buck1, double **host_buck2,
double **host_a, double **host_c,
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) {
@ -55,7 +55,7 @@ int buck_gpu_init(const int ntypes, double **cutsq, double **host_rhoinv,
int init_ok=0;
if (world_me==0)
init_ok=BUCKMF.init(ntypes, cutsq, host_rhoinv, host_buck1, host_buck2,
init_ok=BUCKMF.init(ntypes, cutsq, host_rhoinv, host_buck1, host_buck2,
host_a, host_c, offset, special_lj, inum, nall, 300,
maxspecial, cell_size, gpu_split, screen);
@ -73,12 +73,12 @@ int buck_gpu_init(const int ntypes, double **cutsq, double **host_rhoinv,
fflush(screen);
}
if (gpu_rank==i && world_me!=0)
init_ok=BUCKMF.init(ntypes, cutsq, host_rhoinv, host_buck1, host_buck2,
init_ok=BUCKMF.init(ntypes, cutsq, host_rhoinv, host_buck1, host_buck2,
host_a, host_c, offset, special_lj, inum, nall, 300,
maxspecial, cell_size, gpu_split, screen);
BUCKMF.device->gpu_barrier();
if (message)
if (message)
fprintf(screen,"Done.\n");
}
if (message)
@ -98,24 +98,24 @@ void buck_gpu_reinit(const int ntypes, double **cutsq, double **host_rhoinv,
int world_me=BUCKMF.device->world_me();
int gpu_rank=BUCKMF.device->gpu_rank();
int procs_per_gpu=BUCKMF.device->procs_per_gpu();
if (world_me==0)
BUCKMF.reinit(ntypes, cutsq, host_rhoinv, host_buck1, host_buck2,
host_a, host_c, offset);
BUCKMF.device->world_barrier();
for (int i=0; i<procs_per_gpu; i++) {
if (gpu_rank==i && world_me!=0)
BUCKMF.reinit(ntypes, cutsq, host_rhoinv, host_buck1, host_buck2,
host_a, host_c, offset);
BUCKMF.device->gpu_barrier();
}
}
void buck_gpu_clear() {
BUCKMF.clear();
BUCKMF.clear();
}
int ** buck_gpu_compute_n(const int ago, const int inum_full,
@ -128,8 +128,8 @@ int ** buck_gpu_compute_n(const int ago, const int inum_full,
return BUCKMF.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 buck_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,