Fix OpenMP unproteced update bug

Change-Id: Id881b3e2726fa9c9be7a37f7e909bb7b268e44a7

diff --git a/src/gromacs/gmxlib/nonbonded/nb_free_energy.c b/src/gromacs/gmxlib/nonbonded/nb_free_energy.c
index 4ed5663833054212993d9d897eb59ac7bb0614d9..a2e145153bdff7eeb9640187324f9670af855c36 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_free_energy.c
+++ b/src/gromacs/gmxlib/nonbonded/nb_free_energy.c
@@ -795,6 +795,7 @@ gmx_nb_free_energy_kernel(const t_nblist * gmx_restrict    nlist,
      * 12  flops per outer iteration
      * 150 flops per inner iteration
      */
+#pragma omp atomic
     inc_nrnb(nrnb, eNR_NBKERNEL_FREE_ENERGY, nlist->nri*12 + nlist->jindex[n]*150);
 }