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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-10-30 20:04:06 +00:00
parent 0aa77408f8
commit 354e20f431
1219 changed files with 10111 additions and 10111 deletions
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18
src/GPU/fix_gpu.cpp
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@ -11,8 +11,8 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "string.h"
#include "stdlib.h"
#include <string.h>
#include <stdlib.h>
#include "fix_gpu.h"
#include "atom.h"
#include "force.h"
@ -40,7 +40,7 @@ extern int lmp_init_device(MPI_Comm world, MPI_Comm replica,
const int first_gpu, const int last_gpu,
const int gpu_mode, const double particle_split,
const int nthreads, const int t_per_atom,
const double cell_size, char *opencl_flags,
const double cell_size, char *opencl_flags,
const int block_pair);
extern void lmp_clear_device();
extern double lmp_gpu_forces(double **f, double **tor, double *eatom,
@ -89,7 +89,7 @@ FixGPU::FixGPU(LAMMPS *lmp, int narg, char **arg) :
if (ngpu <= 0) error->all(FLERR,"Illegal package gpu command");
int first_gpu = 0;
int last_gpu = ngpu-1;
// options
_gpu_mode = GPU_NEIGH;
@ -172,7 +172,7 @@ FixGPU::FixGPU(LAMMPS *lmp, int narg, char **arg) :
if (binsize == 0.0) binsize = -1.0;
int gpu_flag = lmp_init_device(universe->uworld, world, first_gpu, last_gpu,
_gpu_mode, _particle_split, nthreads,
threads_per_atom, binsize, opencl_flags,
threads_per_atom, binsize, opencl_flags,
block_pair);
GPU_EXTRA::check_flag(gpu_flag,error,world);
}
@ -200,8 +200,8 @@ int FixGPU::setmask()
void FixGPU::init()
{
// GPU package cannot be used with atom_style template
if (atom->molecular == 2)
if (atom->molecular == 2)
error->all(FLERR,"GPU package does not (yet) work with "
"atom_style template");
@ -219,7 +219,7 @@ void FixGPU::init()
// neighbor list builds on the GPU with triclinic box is not yet supported
if ((_gpu_mode == GPU_NEIGH || _gpu_mode == GPU_HYB_NEIGH) &&
if ((_gpu_mode == GPU_NEIGH || _gpu_mode == GPU_HYB_NEIGH) &&
domain->triclinic)
error->all(FLERR,"Cannot use package gpu neigh yes with triclinic box");
@ -229,7 +229,7 @@ void FixGPU::init()
error->warning(FLERR,"Using package gpu without any pair style defined");
// make sure fdotr virial is not accumulated multiple times
if (force->pair_match("hybrid",1) != NULL) {
PairHybrid *hybrid = (PairHybrid *) force->pair;
for (int i = 0; i < hybrid->nstyles; i++)