[gmx-developers] last days for 5.1

Mark Abraham mark.j.abraham at gmail.com
Wed Aug 5 16:45:50 CEST 2015


On Wed, Aug 5, 2015 at 4:30 PM Kutzner, Carsten <ckutzne at gwdg.de> wrote:

> Hi,
> > On 05 Aug 2015, at 16:15, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> >
> > We changed some default behaviour for how mdrun picks things like
> numbers of cores per rank, etc. Carsten, can you please try a low-key gmx
> tune_pme run to see we haven’t broken things there?
> Sure - anything particular worth needing a closer look?

Not that I can think of, but tune_pme does try mdrun's default, and it
would be nice to know that that doesn't fail / run slowly / look stupid /
parse badly / etc.

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