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Merge pull request #1813 from wmbrownIntel/user-intel-tri-fix 

Bug fix for USER-INTEL package with triclinic neighbor builds.
This commit is contained in:
Axel Kohlmeyer 2019-12-19 14:58:40 -05:00 committed by GitHub
parent 6c3161cb55 3be04e4671
commit 6192741f79
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GPG Key ID: 4AEE18F83AFDEB23
1 changed files with 2 additions and 2 deletions
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4
src/USER-INTEL/npair_intel.cpp
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@ -360,7 +360,7 @@ void NPairIntel::bin_newton(const int offload, NeighList *list,
if (THREE) ttag[u] = tag[j];
}
if (FULL == 0 || TRI == 1) {
if (FULL == 0 && TRI != 1) {
icount = 0;
istart = ncount;
IP_PRE_edge_align(istart, sizeof(int));
@ -392,7 +392,7 @@ void NPairIntel::bin_newton(const int offload, NeighList *list,
// ---------------------- Loop over i bin
int n = 0;
if (FULL == 0 || TRI == 1) {
if (FULL == 0 && TRI != 1) {
#if defined(LMP_SIMD_COMPILER)
#pragma vector aligned
#pragma ivdep