[gmx-users] MPICH 1.2 vs. GMX 4.0

Carsten Kutzner ckutzne at gwdg.de
Fri Feb 29 09:24:40 CET 2008


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.

Which type of underlying network do you use?

Carsten
> 
> 
> 
> 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
> ----------------------------------------
> 
> 
> 
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-- 
Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics Department
Am Fassberg 11
37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
http://www.mpibpc.mpg.de/research/dep/grubmueller/
http://www.gwdg.de/~ckutzne



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