[CP2K:4399] Enquiry about the error

Urban Borštnik urban.b... at gmail.com
Tue Apr 30 09:18:01 CEST 2013


Dear Kieran,

>From the information you posted it seems you are trying to run your
executable on the login (head) node of a cluster. You should probably
submit it as a job using your cluster's scheduler—and don't forget to
prefix mpirun or mpiexec, as appropriate to your cluster.

Also: next time, please copy/paste the text output instead of pasting
images.

Best regards.

On Thu, 2013-04-25 at 20:44 -0700, Kieran wrote:
> Dear CP2K users,
>  
> May I make an enquiry? I am trying to use cp2k.popt to run an ab
> initio molecular dynamics; however, my job failed and the system
> showed up an error information. I paste the screenshot below. Would
> anyone please tell me what is wrong with my simulation and how to sort
> out this problem? Thank you vey much in advance!
>  
> All the best,
>  
> Kieran
> 
> 
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