George Tsigaridas wrote:
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?
Mark already provided you a link to the wiki site regarding Windows usage and
installation. If you search the archives for "windows":
http://oldwww.gromacs.org/swish-e/search/search2.php
...you will return over a thousand results, most of which report problems with
using Windows ;)
I believe there are also Windows binaries somewhere on the Gromacs site. These
may be of use to you.
-Justin
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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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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