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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12146 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2014-06-27 17:25:22 +00:00
parent f745f24bcd
commit 67ae64329e
24 changed files with 422 additions and 55 deletions
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42
lib/gpu/lal_coul_long_ext.cpp
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@ -27,10 +27,11 @@ static CoulLong<PRECISION,ACC_PRECISION> CLMF;
// ---------------------------------------------------------------------------
// Allocate memory on host and device and copy constants to device
// ---------------------------------------------------------------------------
int cl_gpu_init(const int inum, const int nall, const int max_nbors,
const int maxspecial, const double cell_size, int &gpu_mode,
FILE *screen, double host_cut_coulsq, double *host_special_coul,
const double qqrd2e, const double g_ewald) {
int cl_gpu_init(const int ntypes, double **host_scale,
const int inum, const int nall, const int max_nbors,
const int maxspecial, const double cell_size, int &gpu_mode,
FILE *screen, double host_cut_coulsq, double *host_special_coul,
const double qqrd2e, const double g_ewald) {
CLMF.clear();
gpu_mode=CLMF.device->gpu_mode();
double gpu_split=CLMF.device->particle_split();
@ -53,9 +54,9 @@ int cl_gpu_init(const int inum, const int nall, const int max_nbors,
int init_ok=0;
if (world_me==0)
init_ok=CLMF.init(inum, nall, 300, maxspecial, cell_size, gpu_split,
screen, host_cut_coulsq, host_special_coul, qqrd2e,
g_ewald);
init_ok=CLMF.init(ntypes, host_scale, inum, nall, 300, maxspecial,
cell_size, gpu_split, screen, host_cut_coulsq,
host_special_coul, qqrd2e, g_ewald);
CLMF.device->world_barrier();
if (message)
@ -71,9 +72,9 @@ int cl_gpu_init(const int inum, const int nall, const int max_nbors,
fflush(screen);
}
if (gpu_rank==i && world_me!=0)
init_ok=CLMF.init(inum, nall, 300, maxspecial, cell_size, gpu_split,
screen, host_cut_coulsq, host_special_coul,
qqrd2e, g_ewald);
init_ok=CLMF.init(ntypes, host_scale, inum, nall, 300, maxspecial,
cell_size, gpu_split, screen, host_cut_coulsq,
host_special_coul, qqrd2e, g_ewald);
CLMF.device->gpu_barrier();
if (message)
@ -87,6 +88,27 @@ int cl_gpu_init(const int inum, const int nall, const int max_nbors,
return init_ok;
}
// ---------------------------------------------------------------------------
// Copy updated coeffs from host to device
// ---------------------------------------------------------------------------
void cl_gpu_reinit(const int ntypes, double **host_scale) {
int world_me=CLMF.device->world_me();
int gpu_rank=CLMF.device->gpu_rank();
int procs_per_gpu=CLMF.device->procs_per_gpu();
if (world_me==0)
CLMF.reinit(ntypes, host_scale);
CLMF.device->world_barrier();
for (int i=0; i<procs_per_gpu; i++) {
if (gpu_rank==i && world_me!=0)
CLMF.reinit(ntypes, host_scale);
CLMF.device->gpu_barrier();
}
}
void cl_gpu_clear() {
CLMF.clear();
}