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fix bug where per atom data for USER-OMP was reducing the wrong arrays with hybrid styles

This commit is contained in:
Axel Kohlmeyer 2017-01-26 14:59:10 -05:00
parent caea8973a3
commit 8b7bd9d88e
1 changed files with 3 additions and 2 deletions
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5
src/USER-OMP/thr_omp.cpp
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@ -170,9 +170,8 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
switch (thr_style) { switch (thr_style) {
case THR_PAIR: { case THR_PAIR: {
Pair * const pair = lmp->force->pair;
if (pair->vflag_fdotr) { if (lmp->force->pair->vflag_fdotr) {
// this is a non-hybrid pair style. compute per thread fdotr // this is a non-hybrid pair style. compute per thread fdotr
if (fix->last_pair_hybrid == NULL) { if (fix->last_pair_hybrid == NULL) {
@ -192,6 +191,8 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
} }
if (evflag) { if (evflag) {
Pair * const pair = (Pair *)style;
#if defined(_OPENMP) #if defined(_OPENMP)
#pragma omp critical #pragma omp critical
#endif #endif