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refactor handling of pair/only flag for GPU and KOKKOS

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This commit is contained in:
Axel Kohlmeyer
2022-10-28 16:38:11 -04:00
parent e68b0b442e
commit e0181e8c46
6 changed files with 50 additions and 68 deletions
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13
src/GPU/fix_gpu.cpp
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@ -136,7 +136,6 @@ FixGPU::FixGPU(LAMMPS *lmp, int narg, char **arg) :
double binsize = 0.0;
char *opencl_args = nullptr;
int block_pair = -1;
int pair_only_flag = 0;
int ocl_platform = -1;
char *device_type_flags = nullptr;
@ -194,7 +193,7 @@ FixGPU::FixGPU(LAMMPS *lmp, int narg, char **arg) :
iarg += 2;
} else if (strcmp(arg[iarg],"pair/only") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal package gpu command");
pair_only_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
lmp->pair_only_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"ocl_args") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal package gpu command");
@ -224,16 +223,6 @@ FixGPU::FixGPU(LAMMPS *lmp, int narg, char **arg) :
if (force->newton_pair == 1 && _particle_split < 1)
error->all(FLERR,"Cannot use newton pair on for split less than 1 for now");
if (pair_only_flag) {
lmp->suffixp = lmp->suffix;
lmp->suffix = nullptr;
} else {
if (lmp->suffixp) {
lmp->suffix = lmp->suffixp;
lmp->suffixp = nullptr;
}
}
// pass params to GPU library
// change binsize default (0.0) to -1.0 used by GPU lib