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

Jochen Hub jhub at gwdg.de
Tue Sep 23 17:03:57 CEST 2008

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.


> Best regards,
>                              Tiago Marques
> ------------------------------------------------------------------------
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

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

More information about the gromacs.org_gmx-users mailing list