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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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20
lib/gpu/lal_re_squared_ext.cpp
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@ -28,8 +28,8 @@ static RESquared<PRECISION,ACC_PRECISION> REMF;
// Allocate memory on host and device and copy constants to device
// ---------------------------------------------------------------------------
int re_gpu_init(const int ntypes, double **shape, double **well, double **cutsq,
double **sigma, double **epsilon,
int **form, double **host_lj1, double **host_lj2,
double **sigma, double **epsilon,
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,
@ -56,7 +56,7 @@ int re_gpu_init(const int ntypes, double **shape, double **well, double **cutsq,
int init_ok=0;
if (world_me==0)
init_ok=REMF.init(ntypes, shape, well, cutsq, sigma, epsilon,
init_ok=REMF.init(ntypes, shape, well, cutsq, sigma, epsilon,
form, host_lj1, host_lj2, host_lj3, host_lj4, offset,
special_lj, inum, nall, max_nbors, maxspecial, cell_size,
gpu_split, screen);
@ -64,7 +64,7 @@ int re_gpu_init(const int ntypes, double **shape, double **well, double **cutsq,
REMF.device->world_barrier();
if (message)
fprintf(screen,"Done.\n");
for (int i=0; i<procs_per_gpu; i++) {
if (message) {
if (last_gpu-first_gpu==0)
@ -75,13 +75,13 @@ int re_gpu_init(const int ntypes, double **shape, double **well, double **cutsq,
fflush(screen);
}
if (gpu_rank==i && world_me!=0)
init_ok=REMF.init(ntypes, shape, well, cutsq, sigma, epsilon,
init_ok=REMF.init(ntypes, shape, well, cutsq, sigma, epsilon,
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)
if (message)
fprintf(screen,"Done.\n");
}
if (message)
@ -102,8 +102,8 @@ void re_gpu_clear() {
int** compute(const int ago, const int inum_full, const int nall,
double **host_x, int *host_type, double *sublo,
double *subhi, tagint *tag, int **nspecial,
tagint **special, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
tagint **special, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
int **ilist, int **numj, const double cpu_time, bool &success,
double **host_quat);
@ -114,8 +114,8 @@ int** re_gpu_compute_n(const int ago, const int inum_full, const int nall,
const bool vatom, int &host_start, int **ilist,
int **jnum, const double cpu_time, bool &success,
double **host_quat) {
return REMF.compute(ago, inum_full, nall, host_x, host_type, sublo, subhi,
tag, nspecial, special, eflag, vflag, eatom, vatom,
return REMF.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, host_quat);
}