On 09/14/2012 03:36 PM, Dickson, Callum wrote:
> Hi,
>
> All of our runs were on GPUs with the amber11 cuda code, generally achieving around 30ns/day for a 72 lipid bilayer (the 288 bilayers were around 7ns/day).
>
> Best,
> Callum
> _________________
That's since to be nice. Does anybody also consider improve the CPU
performance of Amber? I can only get max. 10 ns/day for normal 50,000
protein/water system with cutoff=0.8 while I can easily get upto 30-40
ns/day with another two MD tools with cutoff 1.0 under Amber99-ILDN FF.
That's really headache for the CPU poor performance of Amber. Hopefully
it can also be improved in the near future.
best
Albert
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Received on Fri Sep 14 2012 - 07:30:03 PDT
