[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is outdated, so newer cards like these should work.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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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