[gmx-users] How to Install MPI version of GROMACS on a LINUX CLUSTER

Shulin Zhuang shulin.zhuang at gmail.com
Tue Mar 28 12:07:31 CEST 2006

please refer the installation guide of gromacs

On 3/28/06, Shankar Prasad Kanaujia <spk at rishi.serc.iisc.ernet.in> wrote:
> Dear Gromacs Users,
>        I am a new user of gromcas. But I have problem in installing
> gromacs
>        on a cluster which has the following configurations:
>        1. It has 8 nodes.
>        2. Each node has PIV 3.4 GHz and having 2 GB RAM.
>        3. Redhat Enterprise Linux 4.0
>        4. MPICH-1.2.5 version
> I do not know how to install MPI version of Gromacs. What files I need to
> edit.
> I request you all to kindally tell me the steps to install MPI version of
> gromacs on the cluster. (Note: I am able to install gromacs on a single
> processor machine.)
> I would be highly grateful for the same.
> Thanking you.
> Your Sincerely,
> --
> Shankar Prasad Kanaujia
> Ph.D Student
> Bioinformatics Center, Department of SERC
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   Shulin Zhuang
Chemistry Department
Zhejiang University PRC
shulin.zhuang at gmail.com
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