From 8b7bd9d88eb491d1479ed698c7ac98ab7bc7ebde Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 26 Jan 2017 14:59:10 -0500
Subject: [PATCH] fix bug where per atom data for USER-OMP was reducing the
wrong arrays with hybrid styles
---
src/USER-OMP/thr_omp.cpp | 5 +++--
1 file changed, 3 insertions(+), 2 deletions(-)
diff --git a/src/USER-OMP/thr_omp.cpp b/src/USER-OMP/thr_omp.cpp
index 1744a77387..4eaf09fb9a 100644
--- a/src/USER-OMP/thr_omp.cpp
+++ b/src/USER-OMP/thr_omp.cpp
@@ -170,9 +170,8 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
switch (thr_style) {
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
if (fix->last_pair_hybrid == NULL) {
@@ -192,6 +191,8 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
}
if (evflag) {
+ Pair * const pair = (Pair *)style;
+
#if defined(_OPENMP)
#pragma omp critical
#endif
--
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