Hi Senthil.
Neither of these machines have GPUs unfortunately so you can only run the
CPU version of AMBER on them. Your options for XSEDE machines are either
Keeneland or Stampede. Amber should be available on both.
All the best
Ross
On 5/23/13 10:39 AM, "Senthil Natesan" <sen.natesan.yahoo.com> wrote:
>Hi,
>
>Can someone let me know if GPU version of PMEMD is available on
>Gordon-SDSC or/and Kraken-NICS ?
>I am planning to run MD of a system (size ~ 20000 atoms) for 10 ns. It
>would be very helpful if you can give some guidance on optimal
>cores/processor numbers on these systems.
>
>Any example batch script would be appreciated.
>
>Thanks,
>
>Senthil
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Received on Thu May 23 2013 - 11:00:03 PDT
