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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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26
lib/gpu/lal_sw_ext.cpp
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@ -27,14 +27,14 @@ static SW<PRECISION,ACC_PRECISION> SWMF;
// ---------------------------------------------------------------------------
// Allocate memory on host and device and copy constants to device
// ---------------------------------------------------------------------------
int sw_gpu_init(const int ntypes, const int inum, const int nall, const int max_nbors,
int sw_gpu_init(const int ntypes, const int inum, const int nall, const int max_nbors,
const double cell_size, int &gpu_mode, FILE *screen,
int* host_map, const int nelements, int*** host_elem2param, const int nparams,
const double* sw_epsilon, const double* sw_sigma,
const double* sw_lambda, const double* sw_gamma,
const double* sw_costheta, const double* sw_biga,
const double* sw_bigb, const double* sw_powerp,
const double* sw_powerq, const double* sw_cut,
const double* sw_powerq, const double* sw_cut,
const double* sw_cutsq) {
SWMF.clear();
gpu_mode=SWMF.device->gpu_mode();
@ -46,7 +46,7 @@ int sw_gpu_init(const int ntypes, const int inum, const int nall, const int max_
int procs_per_gpu=SWMF.device->procs_per_gpu();
// disable host/device split for now
if (gpu_split != 1.0)
if (gpu_split != 1.0)
return -8;
SWMF.device->init_message(screen,"sw/gpu",first_gpu,last_gpu);
@ -64,7 +64,7 @@ int sw_gpu_init(const int ntypes, const int inum, const int nall, const int max_
if (world_me==0)
init_ok=SWMF.init(ntypes, inum, nall, 300, cell_size, gpu_split, screen,
host_map, nelements, host_elem2param, nparams,
sw_epsilon, sw_sigma, sw_lambda, sw_gamma, sw_costheta,
sw_epsilon, sw_sigma, sw_lambda, sw_gamma, sw_costheta,
sw_biga, sw_bigb, sw_powerp, sw_powerq, sw_cut, sw_cutsq);
SWMF.device->world_barrier();
@ -83,12 +83,12 @@ int sw_gpu_init(const int ntypes, const int inum, const int nall, const int max_
if (gpu_rank==i && world_me!=0)
init_ok=SWMF.init(ntypes, inum, nall, 300, cell_size, gpu_split, screen,
host_map, nelements, host_elem2param, nparams,
sw_epsilon, sw_sigma, sw_lambda, sw_gamma, sw_costheta,
sw_biga, sw_bigb, sw_powerp, sw_powerq, sw_cut,
sw_epsilon, sw_sigma, sw_lambda, sw_gamma, sw_costheta,
sw_biga, sw_bigb, sw_powerp, sw_powerq, sw_cut,
sw_cutsq);
SWMF.device->gpu_barrier();
if (message)
if (message)
fprintf(screen,"Done.\n");
}
if (message)
@ -113,12 +113,12 @@ int ** sw_gpu_compute_n(const int ago, const int inum_full,
return SWMF.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 sw_gpu_compute(const int ago, const int nlocal, const int nall,
const int nlist, double **host_x, int *host_type,
int *ilist, int *numj, int **firstneigh, const bool eflag,
const bool vflag, const bool eatom, const bool vatom,
}
void sw_gpu_compute(const int ago, const int nlocal, const int nall,
const int nlist, double **host_x, int *host_type,
int *ilist, int *numj, int **firstneigh, const bool eflag,
const bool vflag, const bool eatom, const bool vatom,
int &host_start, const double cpu_time, bool &success) {
SWMF.compute(ago,nlocal,nall,nlist,host_x,host_type,ilist,numj,
firstneigh,eflag,vflag,eatom,vatom,host_start,cpu_time,success);