CP2K parser bugs
Hi @pizarroj, as discussed together, after uploading some CP2K raw files I get these errors and warnings, could you revise them and try to find the cause?
We understood together that some of them are due to the missing input file, for which it would be enough to look for the restart file instead. I'm not sure if all the errors are related to the same reason, though.
This is the link to find the upload that is already published:
https://nomad-lab.eu/prod/v1/staging/gui/search/entries?authors.name=Federico%20%20Totti
You need to select "functional type" in the shown columns and you will see the entries that have it unavailable. Those are the ones affected by the following logs.
Let's discuss further if needed, thanks
ERROR:
Input file not found.
ERROR:
Error reading trajectory.
WARNING:
The length of optimization steps sections in the *.out file, 22 does not coincide with the last parsed optimization step number, 23.
WARNING:
Energy not reported for an calculation that is part of a geometry optimization
WARNING:
Could not resolve the system reference from calculation.system_ref, thus electronic normalization factor not reported.