[gmx-users] MPICH 1.2 vs. GMX 4.0

[Florian Haberl]

Hi,

On Friday, 29. February 2008 07:13, yren at home.ipe.ac.cn wrote:
> I often had  problems when running GMX 3.3 on mpich-1.2.x , to be exactly,
> the simulations always crash when running on more than 5 cores. I wonder
> whether  this can be fixed in GMX 4.0.

i have run several simulations with mpich 1 with more than 5cores without any 
problems. If it doesn`t work you can choose different mpich implementations, 
at the moment i think openmpi is the best one, if you don`t want to buy 
something like intel mpi your have any special interconnections like 
infiniband.


Greetings,

Florian

>
>
>
> Sincerely yours,
>
> Ying Ren
> 2008-02-29
> ----------------------------------------
> State Key Laboratory of Multi-Phase Complex System
> Institute of Process Engineering (IPE)
> Chinese Academy of Sciences (CAS)
> P.O.Box 353, Beijing 100080, P.R. China
>
> Tel: +86-10-8262 3713 ext.804
> Fax: +86-10-6255 8065
> Email: yren at home.ipe.ac.cn
> WWW: http://ipe.ac.cn/csms
> ----------------------------------------
>
>
>
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.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

-- 
-------------------------------------------------------------------------------
 Florian Haberl                        
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
 Naegelsbachstr 25
 D-91052 Erlangen
 Telephone:  	+49(0) − 9131 − 85 26573
 Mailto: florian.haberl AT chemie.uni-erlangen.de
-------------------------------------------------------------------------------