On Thu, 5 Jul 2012 15:06:09 +0200
Jan-Philip Gehrcke <jgehrcke.googlemail.com> wrote:
> Hey,
>
> interesting work.
>
> Are there any changes in the "core MD engine" (memory management,
> message passing, ...) of pmemd from Amber 11 to Amber 12 that support
> the measured differences with respect to performance and memory
> consumption or are these differences due to slight variances in the
> experimental environment (due to other jobs running on the same
> nodes, varying network performance, ...)?
Slight variance would be a difference of a few percent and we see that
in test runs. But the differences on the Cray XE6 with the larger
systems are indeed significant. I do not know why that is but I could
reproduce those timings with a few additional runs.
--
Scanned by iCritical.
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Received on Thu Jul 05 2012 - 09:00:02 PDT
