[gmx-users] MPICH 1.2 vs. GMX 4.0

yren at home.ipe.ac.cn yren at home.ipe.ac.cn
Fri Feb 29 07:13:54 CET 2008

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.

Sincerely yours,

Ying Ren
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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