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update multi-threaded neighbor list build for neighbor list refactor

This commit is contained in:
Axel Kohlmeyer 2017-10-18 11:25:15 -04:00
parent 39ededd46c
commit 17c17ac409
5 changed files with 55 additions and 65 deletions
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24
src/USER-OMP/npair_half_respa_bin_newtoff_omp.cpp
View File

@ -45,12 +45,10 @@ void NPairHalfRespaBinNewtoffOmp::build(NeighList *list)
NPAIR_OMP_INIT;
NeighList *listinner = list->listinner;
NeighList *listmiddle = list->listmiddle;
const int respamiddle = list->respamiddle;
#if defined(_OPENMP)
#pragma omp parallel default(none) shared(list,listinner,listmiddle)
#pragma omp parallel default(none) shared(list)
#endif
NPAIR_OMP_SETUP(nlocal);
@ -77,26 +75,26 @@ void NPairHalfRespaBinNewtoffOmp::build(NeighList *list)
int *numneigh = list->numneigh;
int **firstneigh = list->firstneigh;
int *ilist_inner = listinner->ilist;
int *numneigh_inner = listinner->numneigh;
int **firstneigh_inner = listinner->firstneigh;
int *ilist_inner = list->ilist_inner;
int *numneigh_inner = list->numneigh_inner;
int **firstneigh_inner = list->firstneigh_inner;
int *ilist_middle,*numneigh_middle,**firstneigh_middle;
if (respamiddle) {
ilist_middle = listmiddle->ilist;
numneigh_middle = listmiddle->numneigh;
firstneigh_middle = listmiddle->firstneigh;
ilist_middle = list->ilist_middle;
numneigh_middle = list->numneigh_middle;
firstneigh_middle = list->firstneigh_middle;
}
// each thread has its own page allocator
MyPage<int> &ipage = list->ipage[tid];
MyPage<int> &ipage_inner = listinner->ipage[tid];
MyPage<int> &ipage_inner = list->ipage_inner[tid];
ipage.reset();
ipage_inner.reset();
MyPage<int> *ipage_middle;
if (respamiddle) {
ipage_middle = listmiddle->ipage + tid;
ipage_middle = list->ipage_middle + tid;
ipage_middle->reset();
}
@ -199,6 +197,6 @@ void NPairHalfRespaBinNewtoffOmp::build(NeighList *list)
}
NPAIR_OMP_CLOSE;
list->inum = nlocal;
listinner->inum = nlocal;
if (respamiddle) listmiddle->inum = nlocal;
list->inum_inner = nlocal;
if (respamiddle) list->inum_middle = nlocal;
}

24
src/USER-OMP/npair_half_respa_bin_newton_omp.cpp
View File

@ -44,12 +44,10 @@ void NPairHalfRespaBinNewtonOmp::build(NeighList *list)
NPAIR_OMP_INIT;
NeighList *listinner = list->listinner;
NeighList *listmiddle = list->listmiddle;
const int respamiddle = list->respamiddle;
#if defined(_OPENMP)
#pragma omp parallel default(none) shared(list,listinner,listmiddle)
#pragma omp parallel default(none) shared(list)
#endif
NPAIR_OMP_SETUP(nlocal);
@ -76,26 +74,26 @@ void NPairHalfRespaBinNewtonOmp::build(NeighList *list)
int *numneigh = list->numneigh;
int **firstneigh = list->firstneigh;
int *ilist_inner = listinner->ilist;
int *numneigh_inner = listinner->numneigh;
int **firstneigh_inner = listinner->firstneigh;
int *ilist_inner = list->ilist_inner;
int *numneigh_inner = list->numneigh_inner;
int **firstneigh_inner = list->firstneigh_inner;
int *ilist_middle,*numneigh_middle,**firstneigh_middle;
if (respamiddle) {
ilist_middle = listmiddle->ilist;
numneigh_middle = listmiddle->numneigh;
firstneigh_middle = listmiddle->firstneigh;
ilist_middle = list->ilist_middle;
numneigh_middle = list->numneigh_middle;
firstneigh_middle = list->firstneigh_middle;
}
// each thread has its own page allocator
MyPage<int> &ipage = list->ipage[tid];
MyPage<int> &ipage_inner = listinner->ipage[tid];
MyPage<int> &ipage_inner = list->ipage_inner[tid];
ipage.reset();
ipage_inner.reset();
MyPage<int> *ipage_middle;
if (respamiddle) {
ipage_middle = listmiddle->ipage + tid;
ipage_middle = list->ipage_middle + tid;
ipage_middle->reset();
}
@ -245,6 +243,6 @@ void NPairHalfRespaBinNewtonOmp::build(NeighList *list)
}
NPAIR_OMP_CLOSE;
list->inum = nlocal;
listinner->inum = nlocal;
if (respamiddle) listmiddle->inum = nlocal;
list->inum_inner = nlocal;
if (respamiddle) list->inum_middle = nlocal;
}

24
src/USER-OMP/npair_half_respa_bin_newton_tri_omp.cpp
View File

@ -44,12 +44,10 @@ void NPairHalfRespaBinNewtonTriOmp::build(NeighList *list)
NPAIR_OMP_INIT;
NeighList *listinner = list->listinner;
NeighList *listmiddle = list->listmiddle;
const int respamiddle = list->respamiddle;
#if defined(_OPENMP)
#pragma omp parallel default(none) shared(list,listinner,listmiddle)
#pragma omp parallel default(none) shared(list)
#endif
NPAIR_OMP_SETUP(nlocal);
@ -76,26 +74,26 @@ void NPairHalfRespaBinNewtonTriOmp::build(NeighList *list)
int *numneigh = list->numneigh;
int **firstneigh = list->firstneigh;
int *ilist_inner = listinner->ilist;
int *numneigh_inner = listinner->numneigh;
int **firstneigh_inner = listinner->firstneigh;
int *ilist_inner = list->ilist_inner;
int *numneigh_inner = list->numneigh_inner;
int **firstneigh_inner = list->firstneigh_inner;
int *ilist_middle,*numneigh_middle,**firstneigh_middle;
if (respamiddle) {
ilist_middle = listmiddle->ilist;
numneigh_middle = listmiddle->numneigh;
firstneigh_middle = listmiddle->firstneigh;
ilist_middle = list->ilist_middle;
numneigh_middle = list->numneigh_middle;
firstneigh_middle = list->firstneigh_middle;
}
// each thread has its own page allocator
MyPage<int> &ipage = list->ipage[tid];
MyPage<int> &ipage_inner = listinner->ipage[tid];
MyPage<int> &ipage_inner = list->ipage_inner[tid];
ipage.reset();
ipage_inner.reset();
MyPage<int> *ipage_middle;
if (respamiddle) {
ipage_middle = listmiddle->ipage + tid;
ipage_middle = list->ipage_middle + tid;
ipage_middle->reset();
}
@ -206,6 +204,6 @@ void NPairHalfRespaBinNewtonTriOmp::build(NeighList *list)
}
NPAIR_OMP_CLOSE;
list->inum = nlocal;
listinner->inum = nlocal;
if (respamiddle) listmiddle->inum = nlocal;
list->inum_inner = nlocal;
if (respamiddle) list->inum_middle = nlocal;
}

24
src/USER-OMP/npair_half_respa_nsq_newtoff_omp.cpp
View File

@ -46,12 +46,10 @@ void NPairHalfRespaNsqNewtoffOmp::build(NeighList *list)
NPAIR_OMP_INIT;
NeighList *listinner = list->listinner;
NeighList *listmiddle = list->listmiddle;
const int respamiddle = list->respamiddle;
#if defined(_OPENMP)
#pragma omp parallel default(none) shared(list,listinner,listmiddle)
#pragma omp parallel default(none) shared(list)
#endif
NPAIR_OMP_SETUP(nlocal);
@ -80,26 +78,26 @@ void NPairHalfRespaNsqNewtoffOmp::build(NeighList *list)
int *numneigh = list->numneigh;
int **firstneigh = list->firstneigh;
int *ilist_inner = listinner->ilist;
int *numneigh_inner = listinner->numneigh;
int **firstneigh_inner = listinner->firstneigh;
int *ilist_inner = list->ilist_inner;
int *numneigh_inner = list->numneigh_inner;
int **firstneigh_inner = list->firstneigh_inner;
int *ilist_middle,*numneigh_middle,**firstneigh_middle;
if (respamiddle) {
ilist_middle = listmiddle->ilist;
numneigh_middle = listmiddle->numneigh;
firstneigh_middle = listmiddle->firstneigh;
ilist_middle = list->ilist_middle;
numneigh_middle = list->numneigh_middle;
firstneigh_middle = list->firstneigh_middle;
}
// each thread has its own page allocator
MyPage<int> &ipage = list->ipage[tid];
MyPage<int> &ipage_inner = listinner->ipage[tid];
MyPage<int> &ipage_inner = list->ipage_inner[tid];
ipage.reset();
ipage_inner.reset();
MyPage<int> *ipage_middle;
if (respamiddle) {
ipage_middle = listmiddle->ipage + tid;
ipage_middle = list->ipage_middle + tid;
ipage_middle->reset();
}
@ -193,6 +191,6 @@ void NPairHalfRespaNsqNewtoffOmp::build(NeighList *list)
}
NPAIR_OMP_CLOSE;
list->inum = nlocal;
listinner->inum = nlocal;
if (respamiddle) listmiddle->inum = nlocal;
list->inum_inner = nlocal;
if (respamiddle) list->inum_middle = nlocal;
}

24
src/USER-OMP/npair_half_respa_nsq_newton_omp.cpp
View File

@ -47,12 +47,10 @@ void NPairHalfRespaNsqNewtonOmp::build(NeighList *list)
NPAIR_OMP_INIT;
NeighList *listinner = list->listinner;
NeighList *listmiddle = list->listmiddle;
const int respamiddle = list->respamiddle;
#if defined(_OPENMP)
#pragma omp parallel default(none) shared(list,listinner,listmiddle)
#pragma omp parallel default(none) shared(list)
#endif
NPAIR_OMP_SETUP(nlocal);
@ -81,26 +79,26 @@ void NPairHalfRespaNsqNewtonOmp::build(NeighList *list)
int *numneigh = list->numneigh;
int **firstneigh = list->firstneigh;
int *ilist_inner = listinner->ilist;
int *numneigh_inner = listinner->numneigh;
int **firstneigh_inner = listinner->firstneigh;
int *ilist_inner = list->ilist_inner;
int *numneigh_inner = list->numneigh_inner;
int **firstneigh_inner = list->firstneigh_inner;
int *ilist_middle,*numneigh_middle,**firstneigh_middle;
if (respamiddle) {
ilist_middle = listmiddle->ilist;
numneigh_middle = listmiddle->numneigh;
firstneigh_middle = listmiddle->firstneigh;
ilist_middle = list->ilist_middle;
numneigh_middle = list->numneigh_middle;
firstneigh_middle = list->firstneigh_middle;
}
// each thread has its own page allocator
MyPage<int> &ipage = list->ipage[tid];
MyPage<int> &ipage_inner = listinner->ipage[tid];
MyPage<int> &ipage_inner = list->ipage_inner[tid];
ipage.reset();
ipage_inner.reset();
MyPage<int> *ipage_middle;
if (respamiddle) {
ipage_middle = listmiddle->ipage + tid;
ipage_middle = list->ipage_middle + tid;
ipage_middle->reset();
}
@ -212,6 +210,6 @@ void NPairHalfRespaNsqNewtonOmp::build(NeighList *list)
}
NPAIR_OMP_CLOSE;
list->inum = nlocal;
listinner->inum = nlocal;
if (respamiddle) listmiddle->inum = nlocal;
list->inum_inner = nlocal;
if (respamiddle) list->inum_middle = nlocal;
}