Merge release-4-6 into release-5-0

[alexxy/gromacs.git] / src / programs / mdrun / mdrun.cpp

diff --git a/src/programs/mdrun/mdrun.cpp b/src/programs/mdrun/mdrun.cpp
index 41a4021775e2facce77370a5d7b5341c4ffdcfb4..cf69f96a2b53a93ae57c370eedabe0e494c42f03 100644 (file)
--- a/src/programs/mdrun/mdrun.cpp
+++ b/src/programs/mdrun/mdrun.cpp
@@ -207,13 +207,16 @@ int gmx_mdrun(int argc, char *argv[])
         "[PAR]",
         "When PME is used with domain decomposition, separate nodes can",
         "be assigned to do only the PME mesh calculation;",
-        "this is computationally more efficient starting at about 12 nodes.",
+        "this is computationally more efficient starting at about 12 nodes",
+        "or even fewer when OpenMP parallelization is used.",
         "The number of PME nodes is set with option [TT]-npme[tt],",
         "this can not be more than half of the nodes.",
         "By default [TT]mdrun[tt] makes a guess for the number of PME",
-        "nodes when the number of nodes is larger than 11 or performance wise",
-        "not compatible with the PME grid x dimension.",
-        "But the user should optimize npme. Performance statistics on this issue",
+        "nodes when the number of nodes is larger than 16. With GPUs,",
+        "PME nodes are not selected automatically, since the optimal setup",
+        "depends very much on the details of the hardware.",
+        "In all cases you might gain performance by optimizing [TT]-npme[tt].",
+        "Performance statistics on this issue",
         "are written at the end of the log file.",
         "For good load balancing at high parallelization, the PME grid x and y",
         "dimensions should be divisible by the number of PME nodes",