Avoid using function calls in OpenMP directives

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_kernels / simd_4xn / nbnxn_kernel_simd_4xn.c

diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.c b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.c
index 06d93601fd6bb01f3f88d17a433332e2e08d7468..5974873a070147da2fd1723c8909d00449eb3dfe 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.c
+++ b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.c
@@ -43,14 +43,12 @@
 
 #include "typedefs.h"
 
-#ifdef GMX_NBNXN_SIMD_4XN
+#include "gromacs/mdlib/nbnxn_simd.h"
 
-#ifdef GMX_NBNXN_HALF_WIDTH_SIMD
-#define GMX_USE_HALF_WIDTH_SIMD_HERE
-#endif
+#ifdef GMX_NBNXN_SIMD_4XN
 
-#include "gromacs/simd/macros.h"
 #include "gromacs/simd/vector_operations.h"
+
 #if !(GMX_SIMD_REAL_WIDTH == 2 || GMX_SIMD_REAL_WIDTH == 4 || GMX_SIMD_REAL_WIDTH == 8)
 #error "unsupported SIMD width"
 #endif
@@ -274,6 +272,7 @@ nbnxn_kernel_simd_4xn(nbnxn_pairlist_set_t      gmx_unused *nbl_list,
     nbnxn_pairlist_t **nbl;
     int                coulkt, vdwkt = 0;
     int                nb;
+    int                nthreads gmx_unused;
 
     nnbl = nbl_list->nnbl;
     nbl  = nbl_list->nbl;
@@ -345,7 +344,8 @@ nbnxn_kernel_simd_4xn(nbnxn_pairlist_set_t      gmx_unused *nbl_list,
         gmx_incons("Unsupported VdW interaction type");
     }
 
-#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;