jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12483 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-09-11 15:43:36 +00:00
parent 05a63d764e
commit fb2b228ac9
1 changed files with 8 additions and 6 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

14
src/GPU/fix_gpu.cpp
View File

@ -96,7 +96,7 @@ FixGPU::FixGPU(LAMMPS *lmp, int narg, char **arg) :
int nthreads = 1;
int newtonflag = 0;
int threads_per_atom = -1;
double binsize = -1;
double binsize = 0.0;
char *opencl_flags = NULL;
int iarg = 4;
@ -113,6 +113,11 @@ FixGPU::FixGPU(LAMMPS *lmp, int narg, char **arg) :
if (strcmp(arg[iarg+1],"off") == 0) newtonflag = 0;
else if (strcmp(arg[iarg+1],"on") == 0) newtonflag = 1;
else error->all(FLERR,"Illegal package gpu command");
} else if (strcmp(arg[iarg],"binsize") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal package gpu command");
binsize = force->numeric(FLERR,arg[iarg+1]);
if (binsize <= 0.0) error->all(FLERR,"Illegal fix GPU command");
iarg += 2;
} else if (strcmp(arg[iarg],"split") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal package gpu command");
_particle_split = force->numeric(FLERR,arg[iarg+1]);
@ -133,11 +138,6 @@ FixGPU::FixGPU(LAMMPS *lmp, int narg, char **arg) :
nthreads = force->inumeric(FLERR,arg[iarg+1]);
if (nthreads < 1) error->all(FLERR,"Illegal fix GPU command");
iarg += 2;
} else if (strcmp(arg[iarg],"binsize") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal package gpu command");
binsize = force->numeric(FLERR,arg[iarg+1]);
if (binsize <= 0.0) error->all(FLERR,"Illegal fix GPU command");
iarg += 2;
} else if (strcmp(arg[iarg],"device") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal package gpu command");
opencl_flags = arg[iarg+1];
@ -166,7 +166,9 @@ FixGPU::FixGPU(LAMMPS *lmp, int narg, char **arg) :
else force->newton = 0;
// pass params to GPU library
// change binsize default (0.0) to -1.0 used by GPU lib
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);