[gmx-users] MPI on Windows
Justin A. Lemkul
jalemkul at vt.edu
Thu Sep 3 00:03:59 CEST 2009
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":
...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.
> 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
>> 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.
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Justin A. Lemkul
ICTAS Doctoral Scholar
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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