[CP2K-user] intel bug with CP2K 5.1 version?

[e khodayar]

On Monday, January 15, 2018 at 7:43:56 AM UTC-8, Phil G. wrote:
>
> Dear CP2K fans,
>
> since our HPC gets the new module version of CP2K (5.1-intel-2017b), after 
> submitting the batch file and starting the MD, the simulation was 
> stopped/aborted due to the error message: "Dipole correction needs more 
> vacuum space above the surface"
> This error does not occur if the MD simulation was run with older module 
> version of CP2K (3.0). Is there a bug in the new module file of CP2K 
> 5.1-intel-2017b ?
>
> Here the files are attached here.
>
> Kind regards,
>
> Phil
>
>  
>
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