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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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22
lib/gpu/lal_dpd_ext.cpp
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@ -54,7 +54,7 @@ int dpd_gpu_init(const int ntypes, double **cutsq, double **host_a0,
int init_ok=0;
if (world_me==0)
init_ok=DPDMF.init(ntypes, cutsq, host_a0, host_gamma, host_sigma,
init_ok=DPDMF.init(ntypes, cutsq, host_a0, host_gamma, host_sigma,
host_cut, special_lj, tstat_only, inum, nall, 300,
maxspecial, cell_size, gpu_split, screen);
@ -72,12 +72,12 @@ int dpd_gpu_init(const int ntypes, double **cutsq, double **host_a0,
fflush(screen);
}
if (gpu_rank==i && world_me!=0)
init_ok=DPDMF.init(ntypes, cutsq, host_a0, host_gamma, host_sigma,
init_ok=DPDMF.init(ntypes, cutsq, host_a0, host_gamma, host_sigma,
host_cut, special_lj, tstat_only, inum, nall, 300,
maxspecial, cell_size, gpu_split, screen);
DPDMF.device->gpu_barrier();
if (message)
if (message)
fprintf(screen,"Done.\n");
}
if (message)
@ -95,25 +95,25 @@ void dpd_gpu_clear() {
int ** dpd_gpu_compute_n(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 **jnum, const double cpu_time, bool &success,
double **host_v, const double dtinvsqrt,
double **host_v, const double dtinvsqrt,
const int seed, const int timestep,
double *boxlo, double *prd) {
return DPDMF.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,
vatom, host_start, ilist, jnum, cpu_time, success,
host_v, dtinvsqrt, seed, timestep, boxlo, prd);
}
}
void dpd_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,
const bool eatom, const bool vatom, int &host_start,
const double cpu_time, bool &success, tagint *tag,
double **host_v, const double dtinvsqrt,
const int seed, const int timestep,
double **host_v, const double dtinvsqrt,
const int seed, const int timestep,
const int nlocal, double *boxlo, double *prd) {
DPDMF.compute(ago, inum_full, nall, host_x, host_type, ilist, numj,
firstneigh, eflag, vflag, eatom, vatom, host_start, cpu_time, success,