[gmx-users] MPI on Windows

George Tsigaridas gtsig at upatras.gr
Wed Sep 2 23:17:25 CEST 2009

Hi Mark

I have found that LAM/MPI supports the Cygwin environment. Does anyone has 
experience on using GROMACS under Cygwin with the LAM/MPI libraries in order 
to perform parallel runs in a PC network running Windows XP? Could you 
provide some details on the installation and use of this system?

Thank you in advance

----- Original Message ----- 
From: "Mark Abraham" <Mark.Abraham at anu.edu.au>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Wednesday, September 02, 2009 3:47 PM
Subject: Re: [gmx-users] MPI on Windows

> George Tsigaridas wrote:
>> 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.
> http://oldwiki.gromacs.org/index.php/GROMACS_on_Windows has the advice
> suitable for Windows. If you have any correctly functioning MPI for
> Cygwin then GROMACS under cygwin with configure --enable-mpi will just
> work. Google is your friend for checking what MPI libraries are good for
> Cygwin.
> Be warned that it's unlikely that GROMACS will scale more than a few
> nodes if these Windows boxes are running any services that create
> competition for the network - and typical PC network cards don't scale
> to more than a handful anyway.
> Mark
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