Merge release-5-0 into master

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nb_free_energy.c

diff --git a/src/gromacs/gmxlib/nonbonded/nb_free_energy.c b/src/gromacs/gmxlib/nonbonded/nb_free_energy.c
index 74cd5640efc725b56dec4d93b2deec0c1c2f7eb9..5414c668c6936a22a2238e2a079fba88c91e34ae 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);
 }