Modernize t_nrnb

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

diff --git a/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp b/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
index f194c51d572758f0bc910f4a51093169036cb62b..795cdbce4e16b6e2bbae6cce6c6f3a209abc89a0 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
+++ b/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
@@ -850,8 +850,7 @@ static void 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[nri] * 150);
+    atomicNrnbIncrement(nrnb, eNR_NBKERNEL_FREE_ENERGY, nlist->nri * 12 + nlist->jindex[nri] * 150);
 
     if (numExcludedPairsBeyondRlist > 0)
     {