[Beowulf] Barcelona vs. Woodcrest, computational chemistry research

[andrew holway]

Multi reference quantum chem. Gaussian and Molcas.

Andy

On 26/09/2007, John Leidel <john.leidel at gmail.com> wrote:
> What chem codes are you going to be running [NWChem?]
>
>
> On 9/26/07, andrew holway <andrew at moonet.co.uk> wrote:
> >
> > Hi,
> >
> > I am looking at chips for a small 20 node cluster for computational
> > chemistry. I'm trying to get my head around the various merits of the
> > different ways the cache work.
> >
> > Considering the fairly chunky bits of data that are going to be going
> > through, does anyone have any opinion on how the new 1.9 Barcelona
> > will perform against a 2.66 woodcrest. Is the Intel front side bus
> > going to be a significant bottleneck for this type of application?
> >
> > Cheers
> >
> > Andy
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>