GPU - Look at the K20X numbers here: http://ambermd.org/gpus/benchmarks.htm
Basically the GPUs are so quick compared with CPUs that your best option
on stampede is to use the GPU partition.
CPU performance will be about 5% faster than the CPU numbers given on the
benchmark page above. Those numbers come from SDSC's Gordon which are
2.6GHz chips and Stampede has 2.7GHz chips and a little bit better
interconnect (FDR vs Dual Channel QDR).
All the best
Ross
On 2/13/14, 8:40 AM, "David Cowburn" <david.cowburn.einstein.yu.edu> wrote:
>Does anyone have benchmarks for AMBER-12 on Stampede at TACC?
>Anticipatory thanks, David .
>
>David Cowburn, PhD DSC, Professor, Depts. of Biochemistry and Physiology
>& Biophysics
>Albert Einstein College of Medicine of Yeshiva University
>1300 Morris Park Avenue, Bronx, NY 10461
>gV: 908 913 0495
>
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Received on Thu Feb 13 2014 - 10:00:04 PST
