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[BUG] Model deviation calculation output nan occasionally in model_devi.out #3242

@robinzyb

Description

@robinzyb

Bug summary

Screenshot 2024-02-06 at 15 51 16

DeePMD-kit Version

2.2.7

TensorFlow Version

2.9.0

How did you download the software?

conda

Input Files, Running Commands, Error Log, etc.

https://drive.google.com/drive/folders/1GzDIUjdFfn7APTuSepa_ONugUoBkk4an?usp=drive_link
potentials and inputs for the model deviation calculation as well as the results.

Steps to Reproduce

run the model deviation calculation in google drive.

Further Information, Files, and Links

No response

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