Avoid using function calls in OpenMP directives

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_kernels / nbnxn_kernel_ref.c

diff --git a/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref.c b/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref.c
index 3a04cb57538b48c7957cc540d8775f23922a4677..a10465296569d932b4b90a2b34ca131d98c2fe58 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref.c
+++ b/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref.c
@@ -41,7 +41,7 @@
 
 #include "typedefs.h"
 #include "vec.h"
-#include "smalloc.h"
+#include "gromacs/utility/smalloc.h"
 #include "force.h"
 #include "gmx_omp_nthreads.h"
 #include "nbnxn_kernel_ref.h"
@@ -182,6 +182,7 @@ nbnxn_kernel_ref(const nbnxn_pairlist_set_t *nbl_list,
     int                coult;
     int                vdwt;
     int                nb;
+    int                nthreads gmx_unused;
 
     nnbl = nbl_list->nnbl;
     nbl  = nbl_list->nbl;
@@ -239,7 +240,8 @@ nbnxn_kernel_ref(const nbnxn_pairlist_set_t *nbl_list,
         gmx_incons("Unsupported vdwtype in nbnxn reference kernel");
     }
 
-#pragma omp parallel for schedule(static) num_threads(gmx_omp_nthreads_get(emntNonbonded))
+    nthreads = gmx_omp_nthreads_get(emntNonbonded);
+#pragma omp parallel for schedule(static) num_threads(nthreads)
     for (nb = 0; nb < nnbl; nb++)
     {
         nbnxn_atomdata_output_t *out;