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

Jochen Hub jhub at gwdg.de
Wed Mar 29 13:48:25 CEST 2006

Shankar Prasad Kanaujia 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
Have a look on the gromacs webpage and check installation. You don't 
have to edit any files, just follow the instructions.


>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.
>Yours Sincerely,
>Shankar Prasad Kanaujia
>Ph.D Student
>Bioinformatics Center, Department of SERC
>IISc, Bangalore - 12
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Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de

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