Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

[BUG] Wrong dptest results except for energy head #4249

Open
Chengqian-Zhang opened this issue Oct 24, 2024 · 1 comment
Open

[BUG] Wrong dptest results except for energy head #4249

Chengqian-Zhang opened this issue Oct 24, 2024 · 1 comment
Assignees
Labels

Comments

@Chengqian-Zhang
Copy link
Collaborator

Bug summary

I find property dptest's results to be very different from the learning curve. And I have found the reason. This is a general bug for all heads except for energy head.
In /deepmd/entrypoints/test.py line 127 tmap = dp.get_type_map() if isinstance(dp, DeepPot) else None. If we use DeepProperty or DeepPolar or DeepDOS..... tmap is None. So type_map is not modified again according to type_map in input.json. So atype is wrong in the model forward process. The model prediction value is wrong.

DeePMD-kit Version

All versions

Backend and its version

pytorch

How did you download the software?

Offline packages

Input Files, Running Commands, Error Log, etc.

See above.

Steps to Reproduce

See above.

Further Information, Files, and Links

See above.

@njzjz
Copy link
Member

njzjz commented Oct 24, 2024

It seems that in the r2 branch, get_type_map() is only available in DeepPot. After we refactor DeepEval in v3, this should not be a problem anymore.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
Projects
None yet
Development

No branches or pull requests

2 participants