constrained MD simulation crashes. Why ?

[Manuel Corral]

Le vendredi 27 mai 2016 11:10:44 UTC+2, Samuel Andermatt a écrit :
>
> https://www.cp2k.org/howto:gethelp
> Especially the version of CP2K is missing.
>

Sorry for the missing information. This is my first post of this kind.

1- CP2K version: 2.5.1.

2- Enclosed there are the output and error log files.  

3- We do our calculations with a supercomputer with E5-2670  Intel Sandy 
Bridge cores and 4 Gb memory per node.


Thank you for your kind attention,
Manuel
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