structure relax for matnetic system

[matphy1]

Describe the bug

I use Abacus LST to run structure relax for La4Ni3O10 magnetic system, the error occured as followers.

This is attachment.

3-sdw-U-1.5-opt.zip

Thank you.

Expected behavior

No response

To Reproduce

No response

Environment

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Additional Context

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[mohanchen]

It seems like memory leak...

[mohanchen]

We will find someone to look into the issue,

[ahxbcn]

Hi matphy1,
I repeated your calculation with LTS v3.10.0, and it runs smoothly until 4th step of the cell-relax procedure.

6193-repeat.zip

Perhaps it is due to your abacus executable. You can try to use prebuild abacus executable from docker or conda (https://abacus.deepmodeling.com/en/latest/quick_start/easy_install.html).