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Added atom tag for dpd to work with tag and v

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This commit is contained in:
Trung Nguyen
2023-12-08 00:20:53 -06:00
parent 7fad795141
commit 0f78afc66f
4 changed files with 13 additions and 17 deletions
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8
lib/gpu/lal_sph_lj_ext.cpp
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@ -94,15 +94,14 @@ void sph_lj_gpu_clear() {
int ** sph_lj_gpu_compute_n(const int ago, const int inum_full, const int nall,
double **host_x, int *host_type, double *sublo,
double *subhi, int **nspecial,
double *subhi, tagint *tag, int **nspecial,
tagint **special, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
int **ilist, int **jnum, const double cpu_time, bool &success,
double **host_v, double *boxlo, double *prd) {
double dtinvsqrt = 1.0;
int seed = 0;
int timestep = 0;
tagint* tag = nullptr;
int timestep = 0;
return SPHLJMF.compute(ago, inum_full, nall, host_x, host_type, sublo,
subhi, tag, nspecial, special, eflag, vflag, eatom,
vatom, host_start, ilist, jnum, cpu_time, success,
@ -113,12 +112,11 @@ void sph_lj_gpu_compute(const int ago, const int inum_full, const int nall,
double **host_x, int *host_type, int *ilist, int *numj,
int **firstneigh, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
const double cpu_time, bool &success,
const double cpu_time, bool &success, tagint *tag,
double **host_v, const int nlocal, double *boxlo, double *prd) {
double dtinvsqrt = 1.0;
int seed = 0;
int timestep = 0;
tagint* tag = nullptr;
SPHLJMF.compute(ago, inum_full, nall, host_x, host_type, ilist, numj,
firstneigh, eflag, vflag, eatom, vatom, host_start, cpu_time, success,
tag, host_v, dtinvsqrt, seed, timestep, nlocal, boxlo, prd);

6
lib/gpu/lal_sph_taitwater_ext.cpp
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@ -98,7 +98,7 @@ void sph_taitwater_gpu_clear() {
int ** sph_taitwater_gpu_compute_n(const int ago, const int inum_full, const int nall,
double **host_x, int *host_type, double *sublo,
double *subhi, int **nspecial,
double *subhi, tagint *tag, int **nspecial,
tagint **special, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
int **ilist, int **jnum, const double cpu_time, bool &success,
@ -106,7 +106,6 @@ int ** sph_taitwater_gpu_compute_n(const int ago, const int inum_full, const int
double dtinvsqrt = 1.0;
int seed = 0;
int timestep = 0;
tagint* tag = nullptr;
return SPHTaitwaterMF.compute(ago, inum_full, nall, host_x, host_type, sublo,
subhi, tag, nspecial, special, eflag, vflag, eatom,
vatom, host_start, ilist, jnum, cpu_time, success,
@ -117,12 +116,11 @@ void sph_taitwater_gpu_compute(const int ago, const int inum_full, const int nal
double **host_x, int *host_type, int *ilist, int *numj,
int **firstneigh, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
const double cpu_time, bool &success,
const double cpu_time, bool &success, tagint *tag,
double **host_v, const int nlocal, double *boxlo, double *prd) {
double dtinvsqrt = 1.0;
int seed = 0;
int timestep = 0;
tagint* tag = nullptr;
SPHTaitwaterMF.compute(ago, inum_full, nall, host_x, host_type, ilist, numj,
firstneigh, eflag, vflag, eatom, vatom, host_start, cpu_time, success,
tag, host_v, dtinvsqrt, seed, timestep, nlocal, boxlo, prd);

8
src/GPU/pair_sph_lj_gpu.cpp
View File

@ -41,7 +41,7 @@ int sph_lj_gpu_init(const int ntypes, double **cutsq, double** host_cut,
const double cell_size, int &gpu_mode, FILE *screen);
void sph_lj_gpu_clear();
int **sph_lj_gpu_compute_n(const int ago, const int inum_full, const int nall, double **host_x,
int *host_type, double *sublo, double *subhi, int **nspecial,
int *host_type, double *sublo, double *subhi, tagint *tag, int **nspecial,
tagint **special, const bool eflag, const bool vflag, const bool eatom,
const bool vatom, int &host_start, int **ilist, int **jnum,
const double cpu_time, bool &success, double **host_v,
@ -49,7 +49,7 @@ int **sph_lj_gpu_compute_n(const int ago, const int inum_full, const int nall, d
void sph_lj_gpu_compute(const int ago, const int inum_full, const int nall, double **host_x,
int *host_type, int *ilist, int *numj, int **firstneigh, const bool eflag,
const bool vflag, const bool eatom, const bool vatom, int &host_start,
const double cpu_time, bool &success, double **host_v,
const double cpu_time, bool &success, tagint *tag, double **host_v,
const int nlocal, double *boxlo, double *prd);
void sph_lj_gpu_get_extra_data(double *host_rho, double *host_esph,
double *host_cv, double *host_mass);
@ -110,7 +110,7 @@ void PairSPHLJGPU::compute(int eflag, int vflag)
inum = atom->nlocal;
firstneigh = sph_lj_gpu_compute_n(
neighbor->ago, inum, nall, atom->x, atom->type,
sublo, subhi, atom->nspecial, atom->special, eflag, vflag,
sublo, subhi, atom->tag, atom->nspecial, atom->special, eflag, vflag,
eflag_atom, vflag_atom, host_start, &ilist, &numneigh,
cpu_time, success, atom->v, domain->boxlo, domain->prd);
} else {
@ -121,7 +121,7 @@ void PairSPHLJGPU::compute(int eflag, int vflag)
sph_lj_gpu_compute(neighbor->ago, inum, nall, atom->x, atom->type,
ilist, numneigh, firstneigh, eflag, vflag,
eflag_atom, vflag_atom, host_start, cpu_time, success,
atom->v, atom->nlocal, domain->boxlo, domain->prd);
atom->tag, atom->v, atom->nlocal, domain->boxlo, domain->prd);
}
if (!success) error->one(FLERR, "Insufficient memory on accelerator");

8
src/GPU/pair_sph_taitwater_gpu.cpp
View File

@ -42,7 +42,7 @@ int sph_taitwater_gpu_init(const int ntypes, double **cutsq, double** host_cut,
const double cell_size, int &gpu_mode, FILE *screen);
void sph_taitwater_gpu_clear();
int **sph_taitwater_gpu_compute_n(const int ago, const int inum_full, const int nall, double **host_x,
int *host_type, double *sublo, double *subhi, int **nspecial,
int *host_type, double *sublo, double *subhi, tagint *tag, int **nspecial,
tagint **special, const bool eflag, const bool vflag, const bool eatom,
const bool vatom, int &host_start, int **ilist, int **jnum,
const double cpu_time, bool &success, double **host_v,
@ -50,7 +50,7 @@ int **sph_taitwater_gpu_compute_n(const int ago, const int inum_full, const int
void sph_taitwater_gpu_compute(const int ago, const int inum_full, const int nall, double **host_x,
int *host_type, int *ilist, int *numj, int **firstneigh, const bool eflag,
const bool vflag, const bool eatom, const bool vatom, int &host_start,
const double cpu_time, bool &success, double **host_v,
const double cpu_time, bool &success, tagint *tag, double **host_v,
const int nlocal, double *boxlo, double *prd);
void sph_taitwater_gpu_get_extra_data(double *host_rho, double *host_mass);
void sph_taitwater_gpu_update_drhoE(void **drhoE_ptr);
@ -107,7 +107,7 @@ void PairSPHTaitwaterGPU::compute(int eflag, int vflag)
}
inum = atom->nlocal;
firstneigh = sph_taitwater_gpu_compute_n(
neighbor->ago, inum, nall, atom->x, atom->type, sublo, subhi, atom->nspecial,
neighbor->ago, inum, nall, atom->x, atom->type, sublo, subhi, atom->tag, atom->nspecial,
atom->special, eflag, vflag, eflag_atom, vflag_atom, host_start, &ilist, &numneigh,
cpu_time, success, atom->v, domain->boxlo, domain->prd);
} else {
@ -117,7 +117,7 @@ void PairSPHTaitwaterGPU::compute(int eflag, int vflag)
firstneigh = list->firstneigh;
sph_taitwater_gpu_compute(neighbor->ago, inum, nall, atom->x, atom->type, ilist, numneigh, firstneigh,
eflag, vflag, eflag_atom, vflag_atom, host_start, cpu_time, success,
atom->v, atom->nlocal, domain->boxlo, domain->prd);
atom->tag, atom->v, atom->nlocal, domain->boxlo, domain->prd);
}
if (!success) error->one(FLERR, "Insufficient memory on accelerator");