[AMBER] Extra Points support in pmemd.cuda.MPI

From: Thomas Evangelidis <tevang3.gmail.com>
Date: Wed, 10 Apr 2013 13:10:51 +0300

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.

Thomas

-- 
======================================================================
Thomas Evangelidis
PhD student
University of Athens
Faculty of Pharmacy
Department of Pharmaceutical Chemistry
Panepistimioupoli-Zografou
157 71 Athens
GREECE
email: tevang.pharm.uoa.gr
          tevang3.gmail.com
website: https://sites.google.com/site/thomasevangelidishomepage/
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Received on Wed Apr 10 2013 - 03:30:03 PDT