FAQ - Error Messages

[Sideboard]

This gives more details on error messages from QUIP/GAP.

QUIP

GAP model has not been fitted.

Message

SYSTEM ABORT: IPModel_GAP_Initialise_str: GAP model has not been fitted.

Problem

The loaded *.xml stems from a gap_fit run with the option sparsify_only_no_fit=T. No fitting was performed, all coefficients in the file are 0.0.

Solution

Rerun gap_fit with sparsify_only_no_fit=F (or leave the option out) to fit the potential and use the new *.xml instead.

GAP