Bug summary
When calculating the vacancy energy of Fe2 and the SIA of Fe256, there are errors.


DeePMD-kit Version
v3.0.0a1
Backend and its version
no tensorflow
How did you download the software?
Built from source
Input Files, Running Commands, Error Log, etc.
Fe2_vacancy.zip
Fe256_SIA.zip
I failed to upload this potential:

Steps to Reproduce
All my input files except frozen_model.pth upload to "Input Files, Running Commands, Error Log, etc.*". Then run ABACUS (v.3.8.0).
Further Information, Files, and Links
No response