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Fixed PME bug with high OpenMP thread count
[alexxy/gromacs.git]
/
src
/
mdlib
/
pme.c
diff --git
a/src/mdlib/pme.c
b/src/mdlib/pme.c
index 9ca121ca765f9d81f815a7ac78f0643f2ce78861..494bc1a9883a7bcec5a542d84c5dcb072f99dcd1 100644
(file)
--- a/
src/mdlib/pme.c
+++ b/
src/mdlib/pme.c
@@
-3746,7
+3746,8
@@
reduce_threadgrid_overlap(gmx_pme_t pme,
if (bCommY)
{
commbuf = commbuf_y;
- buf_my = ty1 - offy;
+ /* The y-size of the communication buffer is order-1 */
+ buf_my = pmegrid->order - 1;
if (bCommX)
{
/* We index commbuf modulo the local grid size */