[gmx-users] pp/pme ratio differences between gromacs 5.0.x and 5.1.x
ckutzne at gwdg.de
Mon Feb 8 09:17:25 CET 2016
you could try to manually set the number of PME nodes with -npme in 5.1.
Does that reproduce the 5.0 performance?
> On 07 Feb 2016, at 19:57, Johannes Wagner <johannes.wagner at h-its.org> wrote:
> hey guys,
> came across an issue with pp/pme ratio difference from 5.0 to 5.1. For a system running on 2 nodes with a pp/pme ratio of 80:16 on 5.0, the same thing starts with 72:24 on gromacs 5.1. The 5.1 run has a much higher load imbalance and is hence slower. Are there known changes from 5.0 to 5.1 in the pp/pme ratio that cause this?
> cheers, johannes
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