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, ...)?
Regards,
Jan-Philip
On 07/05/2012 02:54 PM, Hannes Loeffler wrote:
> Hi,
>
> I finally found the time to do the AMBER 12 benchmarks on the iDataPlex
> and the Cray XE6. I wrote an addendum briefly summarising the results.
> The document can be found at
> http://www.stfc.ac.uk/CSE/randd/cbg/Benchmark/25241.aspx
>
> As usual the benchmark timings can be downloaded as well.
>
> Let me know if there are any questions or comments.
>
>
> Thank you,
> Hannes.
>
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Received on Thu Jul 05 2012 - 06:30:03 PDT
