[gmx-users] GPU-gromacs

Carsten Kutzner ckutzne at gwdg.de
Fri Oct 25 16:13:31 CEST 2013

On Oct 25, 2013, at 4:07 PM, aixintiankong <aixintiankong at 126.com> wrote:

> Dear prof.,
> i want install gromacs on a multi-core workstation with a GPU(tesla c2075), should i install the openmpi or mpich2? 
If you want to run Gromacs on just one workstation with a single GPU, you do
not need to install an MPI library at all!


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Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302

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