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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_colloid_ext.cpp
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@ -9,7 +9,7 @@
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
begin :
email : nguyentd@ornl.gov
***************************************************************************/
@ -29,9 +29,9 @@ static Colloid<PRECISION,ACC_PRECISION> COLLMF;
// ---------------------------------------------------------------------------
int colloid_gpu_init(const int ntypes, double **cutsq, double **host_lj1,
double **host_lj2, double **host_lj3, double **host_lj4,
double **offset, double *special_lj,
double **host_a12, double **host_a1, double **host_a2,
double **host_d1, double **host_d2, double **host_sigma3,
double **offset, double *special_lj,
double **host_a12, double **host_a1, double **host_a2,
double **host_d1, double **host_d2, double **host_sigma3,
double **host_sigma6, int **host_form, const int inum,
const int nall, const int max_nbors, const int maxspecial,
const double cell_size, int &gpu_mode, FILE *screen) {
@ -57,9 +57,9 @@ int colloid_gpu_init(const int ntypes, double **cutsq, double **host_lj1,
int init_ok=0;
if (world_me==0)
init_ok=COLLMF.init(ntypes, cutsq, host_lj1, host_lj2, host_lj3,
init_ok=COLLMF.init(ntypes, cutsq, host_lj1, host_lj2, host_lj3,
host_lj4, offset, special_lj, host_a12, host_a1,
host_a2, host_d1, host_d2, host_sigma3,
host_a2, host_d1, host_d2, host_sigma3,
host_sigma6, host_form, inum, nall, 300,
maxspecial, cell_size, gpu_split, screen);
@ -78,13 +78,13 @@ int colloid_gpu_init(const int ntypes, double **cutsq, double **host_lj1,
}
if (gpu_rank==i && world_me!=0)
init_ok=COLLMF.init(ntypes, cutsq, host_lj1, host_lj2, host_lj3, host_lj4,
offset, special_lj, host_a12, host_a1, host_a2,
host_d1, host_d2, host_sigma3, host_sigma6, host_form,
offset, special_lj, host_a12, host_a1, host_a2,
host_d1, host_d2, host_sigma3, host_sigma6, host_form,
inum, nall, 300, maxspecial,
cell_size, gpu_split, screen);
COLLMF.device->gpu_barrier();
if (message)
if (message)
fprintf(screen,"Done.\n");
}
if (message)
@ -109,8 +109,8 @@ int ** colloid_gpu_compute_n(const int ago, const int inum_full,
return COLLMF.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 colloid_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,