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Working re_squared.

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This commit is contained in:
W. Michael Brown
2011-05-10 16:38:17 -04:00
parent cc91f53265
commit 0ecefcd1ba
14 changed files with 468 additions and 98 deletions
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35
lib/gpu/re_squared_ext.cpp
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@ -27,15 +27,13 @@ static RESquared<PRECISION,ACC_PRECISION> REMF;
// ---------------------------------------------------------------------------
// Allocate memory on host and device and copy constants to device
// ---------------------------------------------------------------------------
int re_gpu_init(const int ntypes, const double gamma,
const double upsilon, const double mu, double **shape,
double **well, double **cutsq, double **sigma,
double **epsilon, double *host_lshape, int **form,
double **host_lj1, double **host_lj2, double **host_lj3,
double **host_lj4, 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) {
int re_gpu_init(const int ntypes, double **shape, double **well, double **cutsq,
double **sigma, double **epsilon, double *host_lshape,
int **form, double **host_lj1, double **host_lj2,
double **host_lj3, double **host_lj4, 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) {
REMF.clear();
gpu_mode=REMF.device->gpu_mode();
double gpu_split=REMF.device->particle_split();
@ -45,7 +43,7 @@ int re_gpu_init(const int ntypes, const double gamma,
int gpu_rank=REMF.device->gpu_rank();
int procs_per_gpu=REMF.device->procs_per_gpu();
REMF.device->init_message(screen,"gayberne",first_gpu,last_gpu);
REMF.device->init_message(screen,"resquared",first_gpu,last_gpu);
bool message=false;
if (REMF.device->replica_me()==0 && screen)
@ -58,11 +56,10 @@ int re_gpu_init(const int ntypes, const double gamma,
int init_ok=0;
if (world_me==0)
init_ok=REMF.init(ntypes, gamma, upsilon, mu, shape, well, cutsq,
sigma, epsilon, host_lshape, form, host_lj1,
host_lj2, host_lj3, host_lj4, offset, special_lj,
inum, nall, max_nbors, maxspecial, cell_size, gpu_split,
screen);
init_ok=REMF.init(ntypes, shape, well, cutsq, sigma, epsilon, host_lshape,
form, host_lj1, host_lj2, host_lj3, host_lj4, offset,
special_lj, inum, nall, max_nbors, maxspecial, cell_size,
gpu_split, screen);
REMF.device->world_barrier();
if (message)
@ -78,10 +75,10 @@ int re_gpu_init(const int ntypes, const double gamma,
fflush(screen);
}
if (gpu_rank==i && world_me!=0)
init_ok=REMF.init(ntypes, gamma, upsilon, mu, shape, well, cutsq, sigma,
epsilon, host_lshape, form, host_lj1, host_lj2,
host_lj3, host_lj4, offset, special_lj, inum, nall,
max_nbors, maxspecial, cell_size, gpu_split, screen);
init_ok=REMF.init(ntypes, shape, well, cutsq, sigma, epsilon,
host_lshape, form, host_lj1, host_lj2, host_lj3,
host_lj4, offset, special_lj, inum, nall,
max_nbors, maxspecial, cell_size, gpu_split, screen);
REMF.device->gpu_barrier();
if (message)