Avoid using function calls in OpenMP directives

[alexxy/gromacs.git] / src / gromacs / mdlib / force.c

diff --git a/src/gromacs/mdlib/force.c b/src/gromacs/mdlib/force.c
index 0726402913b01bb5d6f79fc79317132f73680163..d4e6445491e36fe2f10bff1cf360d7b6d8ae8050 100644 (file)
--- a/src/gromacs/mdlib/force.c
+++ b/src/gromacs/mdlib/force.c
@@ -117,9 +117,11 @@ static void reduce_thread_forces(int n, rvec *f,
                                  int nthreads, f_thread_t *f_t)
 {
     int t, i;
+    int nthreads_loop gmx_unused;
 
     /* This reduction can run over any number of threads */
-#pragma omp parallel for num_threads(gmx_omp_nthreads_get(emntBonded)) private(t) schedule(static)
+    nthreads_loop = gmx_omp_nthreads_get(emntBonded);
+#pragma omp parallel for num_threads(nthreads_loop) private(t) schedule(static)
     for (i = 0; i < n; i++)
     {
         for (t = 1; t < nthreads; t++)
@@ -210,7 +212,7 @@ void do_force_lowlevel(FILE       *fplog,   gmx_int64_t step,
 
     if (bSepDVDL)
     {
-        fprintf(fplog, "Step %s: non-bonded V and dVdl for node %d:\n",
+        fprintf(fplog, "Step %s: non-bonded V and dVdl for rank %d:\n",
                 gmx_step_str(step, buf), cr->nodeid);
     }
 
@@ -724,7 +726,7 @@ void do_force_lowlevel(FILE       *fplog,   gmx_int64_t step,
         fr->t_wait += t3-t2;
         if (fr->timesteps == 11)
         {
-            fprintf(stderr, "* PP load balancing info: node %d, step %s, rel wait time=%3.0f%% , load string value: %7.2f\n",
+            fprintf(stderr, "* PP load balancing info: rank %d, step %s, rel wait time=%3.0f%% , load string value: %7.2f\n",
                     cr->nodeid, gmx_step_str(fr->timesteps, buf),
                     100*fr->t_wait/(fr->t_wait+fr->t_fnbf),
                     (fr->t_fnbf+fr->t_wait)/fr->t_fnbf);