Merge branch 'release-4-5-patches' into rotation-4-5

[alexxy/gromacs.git] / src / kernel / runner.c

diff --git a/src/kernel/runner.c b/src/kernel/runner.c
index b9317a8db9b0df3ffccb637afed85fa3c6fb2051..fd0953c4229f3ae3be79df7c1b250a38ee9d48d0 100644 (file)
--- a/src/kernel/runner.c
+++ b/src/kernel/runner.c
@@ -593,8 +593,12 @@ int mdrunner(int nthreads_requested, FILE *fplog,t_commrec *cr,int nfile,
         /* PME, if used, is done on all nodes with 1D decomposition */
         cr->npmenodes = 0;
         cr->duty = (DUTY_PP | DUTY_PME);
-        npme_major = cr->nnodes;
+        npme_major = 1;
         npme_minor = 1;
+        if (!EI_TPI(inputrec->eI))
+        {
+            npme_major = cr->nnodes;
+        }
         
         if (inputrec->ePBC == epbcSCREW)
         {