Merge release-5-0 into master

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_search.c

diff --git a/src/gromacs/mdlib/nbnxn_search.c b/src/gromacs/mdlib/nbnxn_search.c
index 6c1e301a0719ba0ada67042d4639c4e22487d7aa..56e616967c3f91d482408d2e4806c5f1f4fb4c37 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_search.c
+++ b/src/gromacs/mdlib/nbnxn_search.c
@@ -37,6 +37,8 @@
 
 #include "nbnxn_search.h"
 
+#include "config.h"
+
 #include <assert.h>
 #include <math.h>
 #include <string.h>
@@ -55,8 +57,6 @@
 #include "gromacs/pbcutil/pbc.h"
 #include "gromacs/utility/smalloc.h"
 
-#include "config.h"
-
 /* nbnxn_internal.h included gromacs/simd/macros.h */
 #include "gromacs/mdlib/nbnxn_internal.h"
 #ifdef GMX_SIMD
@@ -1931,6 +1931,7 @@ void nbnxn_grid_add_simple(nbnxn_search_t    nbs,
     float        *bbcz;
     nbnxn_bb_t   *bb;
     int           ncd, sc;
+    int           nthreads gmx_unused;
 
     grid = &nbs->grid[0];
 
@@ -1957,7 +1958,8 @@ void nbnxn_grid_add_simple(nbnxn_search_t    nbs,
     bbcz = grid->bbcz_simple;
     bb   = grid->bb_simple;
 
-#pragma omp parallel for num_threads(gmx_omp_nthreads_get(emntPairsearch)) schedule(static)
+    nthreads = gmx_omp_nthreads_get(emntPairsearch);
+#pragma omp parallel for num_threads(nthreads) schedule(static)
     for (sc = 0; sc < grid->nc; sc++)
     {
         int c, tx, na;
@@ -4473,6 +4475,7 @@ static void combine_nblists(int nnbl, nbnxn_pairlist_t **nbl,
 {
     int nsci, ncj4, nexcl;
     int n, i;
+    int nthreads gmx_unused;
 
     if (nblc->bSimple)
     {
@@ -4513,7 +4516,8 @@ static void combine_nblists(int nnbl, nbnxn_pairlist_t **nbl,
     /* Each thread should copy its own data to the combined arrays,
      * as otherwise data will go back and forth between different caches.
      */
-#pragma omp parallel for num_threads(gmx_omp_nthreads_get(emntPairsearch)) schedule(static)
+    nthreads = gmx_omp_nthreads_get(emntPairsearch);
+#pragma omp parallel for num_threads(nthreads) schedule(static)
     for (n = 0; n < nnbl; n++)
     {
         int                     sci_offset;