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Kokkos neighbor refactor

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This commit is contained in:
Stan Moore
2016-12-07 13:00:27 -07:00
parent 7c61dbf5e2
commit 8318c67816
60 changed files with 1742 additions and 1279 deletions
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27
src/finish.cpp
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@ -630,22 +630,17 @@ void Finish::end(int flag)
// count neighbors in that list for stats purposes
// allow it to be Kokkos neigh list as well
for (m = 0; m < neighbor->old_nrequest; m++) {
for (m = 0; m < neighbor->old_nrequest; m++)
if ((neighbor->old_requests[m]->half ||
neighbor->old_requests[m]->gran ||
neighbor->old_requests[m]->respaouter ||
neighbor->old_requests[m]->half_from_full) &&
neighbor->old_requests[m]->skip == 0 &&
neighbor->lists[m] && neighbor->lists[m]->numneigh) {
if (!neighbor->lists[m] && lmp->kokkos &&
lmp->kokkos->neigh_list_kokkos(m)) break;
else break;
}
}
neighbor->lists[m] && neighbor->lists[m]->numneigh) break;
nneigh = 0;
if (m < neighbor->old_nrequest) {
if (neighbor->lists[m]) {
if (!neighbor->lists[m]->kokkos) {
int inum = neighbor->lists[m]->inum;
int *ilist = neighbor->lists[m]->ilist;
int *numneigh = neighbor->lists[m]->numneigh;
@ -675,23 +670,19 @@ void Finish::end(int flag)
// count neighbors in that list for stats purposes
// allow it to be Kokkos neigh list as well
for (m = 0; m < neighbor->old_nrequest; m++) {
for (m = 0; m < neighbor->old_nrequest; m++)
if (neighbor->old_requests[m]->full &&
neighbor->old_requests[m]->skip == 0) {
if (lmp->kokkos && lmp->kokkos->neigh_list_kokkos(m)) break;
else break;
}
}
neighbor->old_requests[m]->skip == 0) break;
nneighfull = 0;
if (m < neighbor->old_nrequest) {
if (neighbor->lists[m] && neighbor->lists[m]->numneigh) {
if (!neighbor->lists[m]->kokkos && neighbor->lists[m]->numneigh) {
int inum = neighbor->lists[m]->inum;
int *ilist = neighbor->lists[m]->ilist;
int *numneigh = neighbor->lists[m]->numneigh;
for (i = 0; i < inum; i++)
nneighfull += numneigh[ilist[i]];
} else if (!neighbor->lists[m] && lmp->kokkos)
} else if (lmp->kokkos)
nneighfull = lmp->kokkos->neigh_count(m);
tmp = nneighfull;
@ -865,7 +856,7 @@ void mpi_timings(const char *label, Timer *t, enum Timer::ttype tt,
time_cpu = tmp/nprocs*100.0;
// % variance from the average as measure of load imbalance
if ((time_sq/time - time) > 1.0e-10)
if (time > 1.0e-10)
time_sq = sqrt(time_sq/time - time)*100.0;
else
time_sq = 0.0;
@ -917,7 +908,7 @@ void omp_times(FixOMP *fix, const char *label, enum Timer::ttype which,
time_std /= nthreads;
time_total /= nthreads;
if ((time_std/time_avg -time_avg) > 1.0e-10)
if (time_avg > 1.0e-10)
time_std = sqrt(time_std/time_avg - time_avg)*100.0;
else
time_std = 0.0;