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
George
----- Original Message -----
From: "Mark Abraham" <[email protected]>
To: "Discussion list for GROMACS users" <[email protected]>
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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