[gmx-users] best price/performance for GMX?
Alan Wilter Sousa da Silva
alan at biof.ufrj.br
Mon Sep 24 19:31:30 CEST 2001
That's a good question. I'm using a 100 Mb/s ethernet with Lam too and
dind't find gromacs performace in parallel so spectacular. Does it depend
on network speed? My molecular system?
As soon as I install gromacs in SGI Origin 4 proc. I'll take new
tests. For the moment we are running simulations on GNU/linux cluster.
On Mon, 24 Sep 2001, Bert de Groot wrote:
> Hi all,
> We're about to extend our linux cluster and are interested to hear if there's any specific hardware that you, fellow gromacs-ers, recommend.
> So far we have a cluster consisting of 40 dual PII/PIII using standard
> fast ethernet (100 Mb/s) and our experience is that with a typical system size of about 100.000 atoms using PME, the scaling with LAM-MPI and also MPICH is not very spectacular. So in practice, most jobs are running on a single, two-processor node, which
> is not too bad with the speed that gromacs offers, but still for some jobs it would be nice to be able tu use more than two processors. Would a gigabit ethernet or Myrinet help?
> And if yes, how much?
> Dr. Bert de Groot
> Max Planck Institute for Biophysical Chemistry
> Theoretical molecular biophysics group
> Am Fassberg 11
> 37077 Goettingen, Germany
> tel: +49-551-2011306, fax: +49-551-2011089
> email: bgroot at gwdg.de
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Alan Wilter S. da Silva
Laboratório de Física Biológica
Instituto de Biofísica Carlos Chagas Filho
Universidade do Brasil/UFRJ
Rio de Janeiro, Brasil
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