[gmx-users] Gromacs GPU

Justin Lemkul jalemkul at vt.edu
Wed Nov 21 17:04:26 CET 2012



On 11/21/12 10:43 AM, Emanuele Coccia wrote:
> Dear Support,
>
>   I have installed the version 4.5.5 of Gromacs, I have also installede
> mdrun-gpu. I have a GeForce GTX 670 and CUDA toolkit 4.0; is this
> environment compatible with Gromacs-GPU?
>

Likely.  Are you having some issue getting mdrun to work?  Note that the 
hardware/software compatibility list on the website (and even within the code) 
is outdated, so newer cards like these should work.

-Justin

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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