[gmx-users] MPI on Windows

[Justin A. Lemkul]

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" <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
>> _______________________________________________
>> gmx-users mailing list    gmx-users at gromacs.org
>> http://lists.gromacs.org/mailman/listinfo/gmx-users
>> Please search the archive at http://www.gromacs.org/search before 
>> posting!
>> Please don't post (un)subscribe requests to the list. Use the
>> www interface or send it to gmx-users-request at gromacs.org.
>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
> 
> 
> -------------------------------------------------------------------------------- 
> 
> 
> 
> 
> No virus found in this incoming message.
> Checked by AVG - www.avg.com
> Version: 8.5.409 / Virus Database: 270.13.75/2340 - Release Date: 
> 09/01/09 20:03:00
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the www 
> interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
> 

-- 
========================================

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

========================================