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update code for ufm/gpu to match changes in base class where uf4 is removed

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This commit is contained in:
Axel Kohlmeyer
2020-08-03 08:12:09 -04:00
parent d271ee65e8
commit 7e5e741ea1
4 changed files with 46 additions and 49 deletions
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33
lib/gpu/lal_ufm_ext.cpp
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@ -10,7 +10,7 @@
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
begin :
email : pl.rodolfo@gmail.com
dekoning@ifi.unicamp.br
***************************************************************************/
@ -30,10 +30,10 @@ static UFM<PRECISION,ACC_PRECISION> UFMLMF;
// Allocate memory on host and device and copy constants to device
// ---------------------------------------------------------------------------
int ufml_gpu_init(const int ntypes, double **cutsq, double **host_uf1,
double **host_uf2, double **host_uf3, double **host_uf4,
double **offset, double *special_lj, const int inum, const int nall,
const int max_nbors, const int maxspecial, const double cell_size,
int &gpu_mode, FILE *screen) {
double **host_uf2, double **host_uf3, double **offset,
double *special_lj, const int inum, const int nall,
const int max_nbors, const int maxspecial, const double cell_size,
int &gpu_mode, FILE *screen) {
UFMLMF.clear();
gpu_mode=UFMLMF.device->gpu_mode();
double gpu_split=UFMLMF.device->particle_split();
@ -57,8 +57,8 @@ int ufml_gpu_init(const int ntypes, double **cutsq, double **host_uf1,
int init_ok=0;
if (world_me==0)
init_ok=UFMLMF.init(ntypes, cutsq, host_uf1, host_uf2, host_uf3,
host_uf4, offset, special_lj, inum, nall, 300,
maxspecial, cell_size, gpu_split, screen);
offset, special_lj, inum, nall, 300,
maxspecial, cell_size, gpu_split, screen);
UFMLMF.device->world_barrier();
if (message)
@ -74,12 +74,12 @@ int ufml_gpu_init(const int ntypes, double **cutsq, double **host_uf1,
fflush(screen);
}
if (gpu_rank==i && world_me!=0)
init_ok=UFMLMF.init(ntypes, cutsq, host_uf1, host_uf2, host_uf3, host_uf4,
init_ok=UFMLMF.init(ntypes, cutsq, host_uf1, host_uf2, host_uf3,
offset, special_lj, inum, nall, 300, maxspecial,
cell_size, gpu_split, screen);
UFMLMF.device->gpu_barrier();
if (message)
if (message)
fprintf(screen,"Done.\n");
}
if (message)
@ -94,19 +94,18 @@ int ufml_gpu_init(const int ntypes, double **cutsq, double **host_uf1,
// Copy updated coeffs from host to device
// ---------------------------------------------------------------------------
void ufml_gpu_reinit(const int ntypes, double **cutsq, double **host_uf1,
double **host_uf2, double **host_uf3, double **host_uf4,
double **offset) {
double **host_uf2, double **host_uf3, double **offset) {
int world_me=UFMLMF.device->world_me();
int gpu_rank=UFMLMF.device->gpu_rank();
int procs_per_gpu=UFMLMF.device->procs_per_gpu();
if (world_me==0)
UFMLMF.reinit(ntypes, cutsq, host_uf1, host_uf2, host_uf3, host_uf4, offset);
UFMLMF.reinit(ntypes, cutsq, host_uf1, host_uf2, host_uf3, offset);
UFMLMF.device->world_barrier();
for (int i=0; i<procs_per_gpu; i++) {
if (gpu_rank==i && world_me!=0)
UFMLMF.reinit(ntypes, cutsq, host_uf1, host_uf2, host_uf3, host_uf4, offset);
UFMLMF.reinit(ntypes, cutsq, host_uf1, host_uf2, host_uf3, offset);
UFMLMF.device->gpu_barrier();
}
}
@ -125,8 +124,8 @@ int ** ufml_gpu_compute_n(const int ago, const int inum_full,
return UFMLMF.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 ufml_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,