[gmx-users] Re: MPI on Windows

George Tsigaridas gtsig at upatras.gr
Wed Sep 2 12:11:38 CEST 2009

Hi Vitaly

Yes, that's exactly what I want. To run GROMACS in a Windows network, if 
Also, could you give me more information on how to compile GROMACS directly 
on Windows?



----- Original Message ----- 
From: "Vitaly V. Chaban" <vvchaban at gmail.com>
To: <gmx-users at gromacs.org>
Sent: Wednesday, September 02, 2009 12:45 PM
Subject: [gmx-users] Re: MPI on Windows

It seems gromacs can be compiled on windows directly if you a bit lucky.

And what's the sense of this task? Do you have a cluster running windows?


> Hi all
> I would like to ask if it is possible to use MPI when GROMACS is installed 
> on Windows using Cygwin. If yes, is there any special procedure that I 
> should follow in this case or I just perform standard installation with 
> MPI support? Also, which MPI driver should I use? Is Open MPI suitable? 
> Specifically, I want to perform parallel run in a network of PCs running 
> Windows XP. I use Gromacs 4.0.4, Cygwin version 2.573.2.3.
> Thank you in advance
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