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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_coul_dsf_ext.cpp
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@ -27,11 +27,11 @@ static CoulDSF<PRECISION,ACC_PRECISION> CDMF;
// ---------------------------------------------------------------------------
// Allocate memory on host and device and copy constants to device
// ---------------------------------------------------------------------------
int cdsf_gpu_init(const int ntypes, const int inum, const int nall,
int cdsf_gpu_init(const int ntypes, const int inum, const int nall,
const int max_nbors, const int maxspecial,
const double cell_size, int &gpu_mode, FILE *screen,
const double host_cut_coulsq, double *host_special_coul,
const double qqrd2e, const double e_shift, const double f_shift,
const double host_cut_coulsq, double *host_special_coul,
const double qqrd2e, const double e_shift, const double f_shift,
const double alpha) {
CDMF.clear();
gpu_mode=CDMF.device->gpu_mode();
@ -55,8 +55,8 @@ int cdsf_gpu_init(const int ntypes, const int inum, const int nall,
int init_ok=0;
if (world_me==0)
init_ok=CDMF.init(ntypes, inum, nall, 300, maxspecial, cell_size,
gpu_split, screen, host_cut_coulsq, host_special_coul,
init_ok=CDMF.init(ntypes, inum, nall, 300, maxspecial, cell_size,
gpu_split, screen, host_cut_coulsq, host_special_coul,
qqrd2e, e_shift, f_shift, alpha);
CDMF.device->world_barrier();
@ -73,12 +73,12 @@ int cdsf_gpu_init(const int ntypes, const int inum, const int nall,
fflush(screen);
}
if (gpu_rank==i && world_me!=0)
init_ok=CDMF.init(ntypes, inum, nall, 300, maxspecial, cell_size,
gpu_split, screen, host_cut_coulsq, host_special_coul,
init_ok=CDMF.init(ntypes, inum, nall, 300, maxspecial, cell_size,
gpu_split, screen, host_cut_coulsq, host_special_coul,
qqrd2e, e_shift, f_shift, alpha);
CDMF.device->gpu_barrier();
if (message)
if (message)
fprintf(screen,"Done.\n");
}
if (message)
@ -95,7 +95,7 @@ void cdsf_gpu_clear() {
int** cdsf_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,
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,
int **ilist, int **jnum, const double cpu_time,
@ -105,8 +105,8 @@ int** cdsf_gpu_compute_n(const int ago, const int inum_full,
subhi, tag, nspecial, special, eflag, vflag, eatom,
vatom, host_start, ilist, jnum, cpu_time, success,
host_q, boxlo, prd);
}
}
void cdsf_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,