[CP2K-user] [CP2K:18744] automatic submission the tasks one by one

[Lobna Saeed]

You have to create a script where you create a folder for each .inp file ,
job submission shell script and other files you want for the simulation.
Then the script will loop over all the folders, submit the job and you know
you have nothing to worry about👍🏻
There are alot of tutorials on the cp2k website that will help you so much.

On Sat 29. Apr 2023 at 20:38, HUAN BI <hbi.trans.sci at gmail.com> wrote:

> I am using the computer in my laboratory for calculation now, I would like
> to ask, how to realize the automatic submission of multiple inp files in
> CP2K? This way I don't have to check them one by one.
>
> thank you so much
>
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