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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8689 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2012-08-21 13:53:49 +00:00
parent 5a71c1a391
commit f1effd1c0d
5 changed files with 245 additions and 38 deletions
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27
src/GPU/fix_gpu.cpp
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@ -35,7 +35,8 @@ enum{GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH};
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 int nthreads, const int t_per_atom,
const double cell_size);
extern void lmp_clear_device();
extern double lmp_gpu_forces(double **f, double **tor, double *eatom,
double **vatom, double *virial, double &ecoul);
@ -76,15 +77,23 @@ FixGPU::FixGPU(LAMMPS *lmp, int narg, char **arg) :
int nthreads = 1;
int threads_per_atom = -1;
if (narg == 9) {
if (strcmp(arg[7],"threads_per_atom") == 0)
threads_per_atom = atoi(arg[8]);
else if (strcmp(arg[7],"nthreads") == 0)
nthreads = atoi(arg[8]);
double cell_size = -1;
int iarg = 7;
while (iarg < narg) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix GPU command");
if (strcmp(arg[iarg],"threads_per_atom") == 0)
threads_per_atom = atoi(arg[iarg+1]);
else if (strcmp(arg[iarg],"nthreads") == 0)
nthreads = atoi(arg[iarg+1]);
else if (strcmp(arg[iarg],"cellsize") == 0)
cell_size = atof(arg[iarg+1]);
else
error->all(FLERR,"Illegal fix GPU command");
} else if (narg != 7)
error->all(FLERR,"Illegal fix GPU command");
iarg += 2;
}
if (nthreads < 1)
error->all(FLERR,"Illegal fix GPU command");
@ -96,7 +105,7 @@ FixGPU::FixGPU(LAMMPS *lmp, int narg, char **arg) :
int gpu_flag = lmp_init_device(universe->uworld, world, first_gpu, last_gpu,
_gpu_mode, _particle_split, nthreads,
threads_per_atom);
threads_per_atom, cell_size);
GPU_EXTRA::check_flag(gpu_flag,error,world);
}