restart multiple walker metadynamics

[Julian Garrec]

No suggestion ?   :)

Kind regards,

Julian


On Monday, July 21, 2014 11:42:33 PM UTC+2, Julian Garrec wrote:
>
> Dear all,
>
> I am quite new to CP2K and I have some issues with restarting multiple 
> walker metadynamics. Please find a tar that contains a full example with 2 
> walkers here. 
> <https://drive.google.com/file/d/0BzFAepCga4rSN1BSanljd1Y4NTA/edit?usp=sharing>
>
> I have tried two kinds of restarts (2_restart and 2_restart_b) that differ 
> only by file 'run.sh' (in the latter case, the script copies the directory 
> 'walkers.data' from the previous simulation).
>
> The main (farming) input file is 'farming.inp. It redirects toward 
> directories 'dir-1' and 'dir-2' (one for each walker).
>
> In all cases, I get the error:
>
>
> ****************************************************************************
>  *** 23:28:54 ERRORL2 in metadynamics_utils:restart_hills processor 0  :: 
> ***
>  *** err=-300 condition FAILED at line 780                                
> ***
>
>  ****************************************************************************
>
> Could anybody help me to fix this issue ?
>
> Thanks,
>
> Julian
>
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