[CP2K-user] [CP2K:15315] Number of steps not matching

Krack Matthias (PSI) matthi... at psi.ch
Sat May 8 12:27:36 UTC 2021

Hi Sumit

Did you check the output file? Maybe, your job hit an execution time limit.


Von: cp... at googlegroups.com <cp... at googlegroups.com> Im Auftrag von sumit agrawal
Gesendet: Samstag, 8. Mai 2021 10:24
An: cp... at googlegroups.com
Betreff: [CP2K:15315] Number of steps not matching


I am trying to equilibrate my system for 2000 steps (1ps). And after completion of this I'm getting only 865 steps (0.43 ps) in my .ener file. Can anybody help me on this?

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