[gmx-users] Performance problems with more than one node

[Jochen Hub]

Tiago Marques wrote:
> Hi!
> 
> I've been using Gromacs on dual-socket quad-core Xeons with 8GiB of RAM,
> connected with Gigabit Ethernet and I always seem to have problems scaling
> to more than a node.
> 
> When I run a test on 16 cores, it does run but the result is often slower
> than when running on only 8 cores on the same machine. The best result I've
> managed is not being slower than 8 cores on 16.
> 
> What am I missing here, or are the tests inappropriate to run over more than
> one machine?

How large is your system? Which gromacs version are you using?

And have a look at the messages by Carsten Kutzner in this list, he
wrote a lot on gromacs scaling.

Jochen

> 
> Best regards,
> 
>                              Tiago Marques
> 
> 
> 
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-- 
************************************************
Dr. Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
Tel.: +49 (0)551 201-2312
************************************************