[CP2K:1674] wall clock limit

Laino Teodoro teodor... at gmail.com
Sat Dec 20 18:44:06 UTC 2008


This should be what you are looking for:

http://cp2k.berlios.de/manual/CP2K_INPUT/MOTION/MD/ 
PRINT.html#desc_FORCE_LAST

Read carefully the above link.. you still need to set the LAST in the  
proper print_key..

Teo

On 20 Dec 2008, at 19:36, Ondrej Marsalek wrote:

>
> hi,
>
> i have a question about the wall clock limit setting in cp2k. is it
> possible to also request a restart file so that the calculation can be
> later restarted automatically?
>
> if i only enable the wall clock limit, i usually get output in several
> files (positions and velocities, for example) more recent than the  
> most
> recent restart file. therefore, an automatic restart (resubmission of
> the same job, for example) will create duplicate entries in those  
> files,
> which is something i would like to avoid, if possible.
>
> regards,
> ondrej
>
> >




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