ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
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
Download Patch File Download Diff File Expand all files Collapse all files

14
lib/gpu/lal_lj_expand_ext.cpp
View File

@ -9,7 +9,7 @@
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
begin :
email : ibains@nvidia.com
***************************************************************************/
@ -30,7 +30,7 @@ static LJExpand<PRECISION,ACC_PRECISION> LJEMF;
int lje_gpu_init(const int ntypes, double **cutsq, double **host_lj1,
double **host_lj2, double **host_lj3, double **host_lj4,
double **offset, double **shift, double *special_lj,
const int inum, const int nall, const int max_nbors,
const int inum, const int nall, const int max_nbors,
const int maxspecial, const double cell_size, int &gpu_mode,
FILE *screen) {
LJEMF.clear();
@ -78,7 +78,7 @@ int lje_gpu_init(const int ntypes, double **cutsq, double **host_lj1,
cell_size, gpu_split,screen);
LJEMF.device->world_barrier();
if (message)
if (message)
fprintf(screen,"Done.\n");
}
if (message)
@ -98,12 +98,12 @@ int lje_gpu_reinit(const int ntypes, double **cutsq, double **host_lj1,
int world_me=LJEMF.device->world_me();
int gpu_rank=LJEMF.device->gpu_rank();
int procs_per_gpu=LJEMF.device->procs_per_gpu();
if (world_me==0)
LJEMF.reinit(ntypes, cutsq, host_lj1, host_lj2, host_lj3, host_lj4,
offset, shift);
LJEMF.device->world_barrier();
for (int i=0; i<procs_per_gpu; i++) {
if (gpu_rank==i && world_me!=0)
LJEMF.reinit(ntypes, cutsq, host_lj1, host_lj2, host_lj3, host_lj4,
@ -126,8 +126,8 @@ int** lje_gpu_compute_n(const int ago, const int inum_full,
return LJEMF.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 lje_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,