Re: [gmx-users] Should I use separate PME nodes

Hi Gaurav, separate PME nodes usually pay off on a larger number of nodes (>16). In rare cases, you will see a performance benefit on a small number of nodes as well. Just try it! Or use g_tune_pme ... ;) Carsten On Jun 25, 2010, at 3:32 PM, Gaurav Goel wrote: > I ran my simulation in parallel

[gmx-users] Should I use separate PME nodes

I ran my simulation in parallel on 4 nodes (with zero separate PME nodes). Below is the information printed in md.log. I see that PME-Mesh calculations took 60% of CPU time. Any recommendations on using 1 or more separate PME nodes to speed up? Computing: M-Number