[CP2K-user] [CP2K:20989] CPASSERT failed error
Miguel RP
miguelrpov42 at gmail.com
Fri Dec 20 09:14:42 UTC 2024
Hello - I am attempting to perform an all-electron calculation in CP2K by
changing the *POTENTIAL* keyword to *ALL* and applying the Gaussian and
Augmented Plane Waves (GAPW) method. While the calculations initially run
without issue, they consistently terminate with an error that is both
frustrating and difficult to resolve...
*******************************************************************************
*
___ *
* /
\ *
*
[ABORT]
*
* \___/ CPASSERT
failed *
*
| *
*
O/| *
* /|
| *
* / \
task_list_methods.F:180 *
*******************************************************************************
At the beginning I thought It could be due to the processors grouping, so I
reduced the NGRIDSkeyword but I'm getting the same error again and again.
I attach the CP2K input and slurm files.
Thanks a lot in advance!
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