Re: Large Benchmarks

From: Philip Peartree (P.Peartree_at_postgrad.manchester.ac.uk)
Date: Thu Oct 11 2007 - 18:09:13 CDT

No, but I did share a lab with Richard until last week! I didn't know he used
NAMD much. I will try with a large water box and see where I get...

Quoting Richard Law <rlaw_at_hanyou.llnl.gov>:

>
> It would actully be a better benchmark than having a protein or/and
> membrane for which the density will vary significantly depending on
> the system when what you want to be able measure is a scalable system
> for different numbers of atoms per processor. Different settings for
> your cut-offs and electrostatics will alter scaling a lot.
>
> Btw - Richard Henchman is at Manchester - he is an expert on these
> kinds of thing. Have you spoke to him?
>
> Rich.
>

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