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Adding MSM version of CMM coul/long/gpu style to library.

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This commit is contained in:
W. Michael Brown
2010-12-12 18:17:11 -05:00
parent 3125cdfd30
commit af4911b377
19 changed files with 5722 additions and 8 deletions
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20
lib/gpu/pair_gpu_device.cpp
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@ -10,7 +10,7 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing authors: Mike Brown (ORNL), brownw@ornl.gov
------------------------------------------------------------------------- */
@ -19,6 +19,9 @@
#include "pair_gpu_precision.h"
#include <map>
#include <math.h>
#ifdef _OPENMP
#include <omp.h>
#endif
#define PairGPUDeviceT PairGPUDevice<numtyp, acctyp>
@ -35,7 +38,13 @@ PairGPUDeviceT::~PairGPUDevice() {
template <class numtyp, class acctyp>
bool PairGPUDeviceT::init_device(const int first_gpu, const int last_gpu,
const int gpu_mode, const double p_split) {
const int gpu_mode, const double p_split,
const int nthreads) {
_nthreads=nthreads;
#ifdef _OPENMP
omp_set_num_threads(nthreads);
#endif
if (_device_init)
return true;
_device_init=true;
@ -141,6 +150,7 @@ void PairGPUDeviceT::init_message(FILE *screen, const char *name,
fprintf(screen,"-------------------------------------\n");
fprintf(screen,"- Using GPGPU acceleration for %s:\n",name);
fprintf(screen,"- with %d procs per device.\n",_procs_per_gpu);
fprintf(screen,"- with %d threads per proc.\n",_nthreads);
fprintf(screen,"-------------------------------------");
fprintf(screen,"-------------------------------------\n");
@ -240,9 +250,10 @@ template class PairGPUDevice<PRECISION,ACC_PRECISION>;
PairGPUDevice<PRECISION,ACC_PRECISION> pair_gpu_device;
bool lmp_init_device(const int first_gpu, const int last_gpu,
const int gpu_mode, const double particle_split) {
const int gpu_mode, const double particle_split,
const int nthreads) {
return pair_gpu_device.init_device(first_gpu,last_gpu,gpu_mode,
particle_split);
particle_split,nthreads);
}
void lmp_clear_device() {
@ -261,3 +272,4 @@ double lmp_gpu_forces(double **f, double **tor, double *eatom,
}
return 0.0;
}