Dear AMBER community,
Is there any other advantage of having a GPU with big memory apart from the
maximum system size it can endure?
http://ambermd.org/gpus/#supported_gpus
I am not sure if it's worth running replica exchange on a single GPU if no
sufficient CPU resources are available. For example, if I have a single
workstation with an i7 processor (8 threads) and a GTX 680 2GB will it be
much faster running 8 replicas of Hamiltonian Replica Exchnage on the GPU
for a system of <100 K atoms? Will I be able to use more replicas if the
GPU has 4 GB of memory?
thanks,
Thomas
PS: Btw, if anyone sells any good-performing GPU in good condition please
contact me privately.
--
======================================================================
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 Mon May 12 2014 - 12:30:06 PDT
