On Wed, Apr 10, 2013 at 6:10 AM, Thomas Evangelidis <tevang3.gmail.com>wrote:
> Dear Amber developers,
>
> Is there going to be any patch soon to allow support for extra point
> calculations with pmemd.cuda.MPI? I am running several simulations with
> TIP4P-Ew water model using pmemd.cuda and receive complaints by the
> supercomputer administrators for not utilizing both GPUs per node.
>
It's on the to-do list AFAIK. Can you just run 2 separate jobs in the
meantime to utilize both GPUs? It never hurts to have 2+ simulations with
different velocities/seeds of the same system.
All the best,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Apr 10 2013 - 06:00:05 PDT
