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Cleaned up unused member functions and hd_balancer calls

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This commit is contained in:
Trung Nguyen
2022-11-07 15:49:37 -06:00
parent a3cc0e8432
commit 959b9c220f
4 changed files with 59 additions and 187 deletions
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78
lib/gpu/lal_hippo_ext.cpp
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@ -69,15 +69,15 @@ int hippo_gpu_init(const int ntypes, const int max_amtype, const int max_amclass
int init_ok=0;
if (world_me==0)
init_ok=HIPPOMF.init(ntypes, max_amtype, max_amclass,
host_pdamp, host_thole, host_dirdamp,
host_amtype2class, host_special_repel, host_special_disp,
host_special_mpole, host_special_polar_wscale,
host_special_polar_piscale, host_special_polar_pscale,
host_sizpr, host_dmppr, host_elepr,
host_csix, host_adisp, host_pcore, host_palpha,
nlocal, nall, max_nbors,
maxspecial, maxspecial15, cell_size, gpu_split,
screen, polar_dscale, polar_uscale);
host_pdamp, host_thole, host_dirdamp,
host_amtype2class, host_special_repel, host_special_disp,
host_special_mpole, host_special_polar_wscale,
host_special_polar_piscale, host_special_polar_pscale,
host_sizpr, host_dmppr, host_elepr,
host_csix, host_adisp, host_pcore, host_palpha,
nlocal, nall, max_nbors,
maxspecial, maxspecial15, cell_size, gpu_split,
screen, polar_dscale, polar_uscale);
HIPPOMF.device->world_barrier();
if (message)
@ -94,15 +94,15 @@ int hippo_gpu_init(const int ntypes, const int max_amtype, const int max_amclass
}
if (gpu_rank==i && world_me!=0)
init_ok=HIPPOMF.init(ntypes, max_amtype, max_amclass,
host_pdamp, host_thole, host_dirdamp,
host_amtype2class, host_special_repel, host_special_disp,
host_special_mpole, host_special_polar_wscale,
host_special_polar_piscale, host_special_polar_pscale,
host_sizpr, host_dmppr, host_elepr,
host_csix, host_adisp, host_pcore, host_palpha,
nlocal, nall, max_nbors,
maxspecial, maxspecial15, cell_size, gpu_split,
screen, polar_dscale, polar_uscale);
host_pdamp, host_thole, host_dirdamp,
host_amtype2class, host_special_repel, host_special_disp,
host_special_mpole, host_special_polar_wscale,
host_special_polar_piscale, host_special_polar_pscale,
host_sizpr, host_dmppr, host_elepr,
host_csix, host_adisp, host_pcore, host_palpha,
nlocal, nall, max_nbors,
maxspecial, maxspecial15, cell_size, gpu_split,
screen, polar_dscale, polar_uscale);
HIPPOMF.device->gpu_barrier();
if (message)
@ -121,16 +121,16 @@ void hippo_gpu_clear() {
}
int** hippo_gpu_precompute(const int ago, const int inum_full, const int nall,
double **host_x, int *host_type, int *host_amtype,
int *host_amgroup, double **host_rpole,
double **host_uind, double **host_uinp, double *host_pval,
double *sublo, double *subhi, tagint *tag,
int **nspecial, tagint **special,
int *nspecial15, tagint **special15,
const bool eflag_in, const bool vflag_in,
const bool eatom, const bool vatom, int &host_start,
int **ilist, int **jnum, const double cpu_time,
bool &success, double *host_q, double *boxlo, double *prd) {
double **host_x, int *host_type, int *host_amtype,
int *host_amgroup, double **host_rpole,
double **host_uind, double **host_uinp, double *host_pval,
double *sublo, double *subhi, tagint *tag,
int **nspecial, tagint **special,
int *nspecial15, tagint **special15,
const bool eflag_in, const bool vflag_in,
const bool eatom, const bool vatom, int &host_start,
int **ilist, int **jnum, const double cpu_time,
bool &success, double *host_q, double *boxlo, double *prd) {
return HIPPOMF.precompute(ago, inum_full, nall, host_x, host_type,
host_amtype, host_amgroup, host_rpole,
nullptr, nullptr, nullptr, sublo, subhi, tag,
@ -141,17 +141,17 @@ int** hippo_gpu_precompute(const int ago, const int inum_full, const int nall,
}
void hippo_gpu_compute_repulsion(const int ago, const int inum_full,
const int nall, double **host_x, int *host_type,
int *host_amtype, int *host_amgroup, double **host_rpole,
double *sublo, double *subhi, tagint *tag, int **nspecial,
tagint **special, int *nspecial15, tagint** special15,
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, const double aewald, const double off2,
double *host_q, double *boxlo, double *prd,
double cut2, double c0, double c1, double c2,
double c3, double c4, double c5, void **tep_ptr) {
const int nall, double **host_x, int *host_type,
int *host_amtype, int *host_amgroup, double **host_rpole,
double *sublo, double *subhi, tagint *tag, int **nspecial,
tagint **special, int *nspecial15, tagint** special15,
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, const double aewald, const double off2,
double *host_q, double *boxlo, double *prd,
double cut2, double c0, double c1, double c2,
double c3, double c4, double c5, void **tep_ptr) {
HIPPOMF.compute_repulsion(ago, inum_full, nall, host_x, host_type,
host_amtype, host_amgroup, host_rpole, sublo, subhi,
tag, nspecial, special, nspecial15, special15,