ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7276 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2011-12-02 15:55:55 +00:00
parent 37f098062b
commit 24a85166bf
32 changed files with 75 additions and 83 deletions
Download Patch File Download Diff File Expand all files Collapse all files

14
src/GPU/fix_gpu.cpp
View File

@ -25,10 +25,11 @@
#include "domain.h"
#include "universe.h"
#include "gpu_extra.h"
#include "neighbor.h"
using namespace LAMMPS_NS;
enum{GPU_FORCE, GPU_NEIGH};
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,
@ -57,6 +58,11 @@ FixGPU::FixGPU(LAMMPS *lmp, int narg, char **arg) :
_gpu_mode = GPU_NEIGH;
if (domain->triclinic)
error->all(FLERR,"Cannot use force/neigh with triclinic box");
} else if (strcmp(arg[3],"force/hybrid_neigh") == 0) {
_gpu_mode = GPU_HYB_NEIGH;
if (domain->triclinic)
error->all(FLERR,
"Cannot use force/hybrid_neigh with triclinic box");
} else
error->all(FLERR,"Illegal fix GPU command");
@ -116,7 +122,7 @@ void FixGPU::init()
{
// hybrid cannot be used with force/neigh option
if (_gpu_mode == GPU_NEIGH)
if (_gpu_mode == GPU_NEIGH || _gpu_mode == GPU_HYB_NEIGH)
if (force->pair_match("hybrid",1) != NULL ||
force->pair_match("hybrid/overlay",1) != NULL)
error->all(FLERR,"Cannot use pair hybrid with GPU neighbor builds");
@ -130,6 +136,10 @@ void FixGPU::init()
void FixGPU::setup(int vflag)
{
if (_gpu_mode == GPU_NEIGH || _gpu_mode == GPU_HYB_NEIGH)
if (neighbor->exclude_setting()!=0)
error->all(FLERR,
"Cannot use neigh_modify exclude with GPU neighbor builds");
post_force(vflag);
}