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Moved precompute() out of the terms in amoeba and hippo, to be involed in the first term in a time step: multipole for amoeba and repulsion for hippo

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Trung Nguyen
2022-09-30 16:31:13 -05:00
parent e6d2582642
commit 1d75ca3b20
9 changed files with 140 additions and 57 deletions
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21
lib/gpu/lal_base_amoeba.cpp
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@ -226,12 +226,12 @@ int * BaseAmoebaT::reset_nbors(const int nall, const int inum, int *ilist,
// ---------------------------------------------------------------------------
template <class numtyp, class acctyp>
inline int BaseAmoebaT::build_nbor_list(const int inum, const int host_inum,
const int nall, double **host_x,
int *host_type, double *sublo,
double *subhi, tagint *tag,
int **nspecial, tagint **special,
int *nspecial15, tagint **special15,
bool &success) {
const int nall, double **host_x,
int *host_type, double *sublo,
double *subhi, tagint *tag,
int **nspecial, tagint **special,
int *nspecial15, tagint **special15,
bool &success) {
success=true;
resize_atom(inum,nall,success);
resize_local(inum,host_inum,nbor->max_nbors(),success);
@ -450,7 +450,7 @@ int** BaseAmoebaT::precompute(const int ago, const int inum_full, const int nall
// Reneighbor on GPU if necessary, and then compute multipole real-space
// ---------------------------------------------------------------------------
template <class numtyp, class acctyp>
int** BaseAmoebaT::compute_multipole_real(const int ago, const int inum_full,
void BaseAmoebaT::compute_multipole_real(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_pval,
@ -469,7 +469,7 @@ int** BaseAmoebaT::compute_multipole_real(const int ago, const int inum_full,
// NOTE:
// Once all the kernels are ready, precompute() is needed only once
// in the first kernel in a time step.
/*
int** firstneigh = nullptr;
firstneigh = precompute(ago, inum_full, nall, host_x, host_type,
host_amtype, host_amgroup, host_rpole,
@ -478,7 +478,7 @@ int** BaseAmoebaT::compute_multipole_real(const int ago, const int inum_full,
eflag_in, vflag_in, eatom, vatom,
host_start, ilist, jnum, cpu_time,
success, host_q, boxlo, prd);
*/
// ------------------- Resize _tep array ------------------------
if (inum_full>_max_tep_size) {
@ -503,7 +503,7 @@ int** BaseAmoebaT::compute_multipole_real(const int ago, const int inum_full,
_tep.update_host(_max_tep_size*4,false);
return firstneigh; // nbor->host_jlist.begin()-host_start;
// return firstneigh; // nbor->host_jlist.begin()-host_start;
}
// ---------------------------------------------------------------------------
@ -782,7 +782,6 @@ int BaseAmoebaT::fphi_mpole() {
// Compute the block size and grid size to keep all cores busy
const int BX=block_size();
//printf("BX = %d; pppm block size = %d\n", BX, PPPM_BLOCK_1D);
int GX=static_cast<int>(ceil(static_cast<double>(this->ans->inum())/BX));
time_pair.start();