[CP2K-user] [CP2K:17641] Restart job

Pedro R. Figueiredo pedrorf93 at gmail.com
Fri Sep 9 15:50:51 UTC 2022


Dear all,

I am running some QMMM calculations with DFT. I am trying to restart a run 
but it always fail with the following error:

CPASSERT failed
metadynamics_utils.F:767
  ===== Routine Calling Stack =====
            5 restart_hills
            4 hills
            3 metadyn_forces
            2 qs_mol_dyn_low
            1 CP2K

I have added the restart section to my input but the problem persists:



*&EXT_RESTART  RESTART_FILE_NAME METADYN-1.restart  RESTART_COUNTERS 
.FALSE.&END*

Do I need to add something to the HILLS section?

Thank you in advance!
Pedro

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