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Aborted when running ABACUS with dp(from DPA-2 finetune) #5367

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ieiue opened this issue Oct 29, 2024 · 2 comments
Closed
16 tasks

Aborted when running ABACUS with dp(from DPA-2 finetune) #5367

ieiue opened this issue Oct 29, 2024 · 2 comments
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Performance Issues related to fail running ABACUS

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@ieiue
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ieiue commented Oct 29, 2024

Describe the bug

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

Expected behavior

No response

To Reproduce

ABACUS v3.8.0
DPA-2 and DeePMD-kit(Q1)
Fe2_vacancy.zip
Fe256_SIA.zip
Image
(I failed to upload this potential)

Environment

gcc 11.3.0

Additional Context

No response

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@mohanchen mohanchen assigned YuLiu98 and denghuilu and unassigned YuLiu98 Oct 29, 2024
@mohanchen mohanchen added the Performance Issues related to fail running ABACUS label Oct 29, 2024
@caic99
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caic99 commented Oct 29, 2024

Hi @ieiue ,
It seems to be an error running DPA2 inference. I would suggest you creating this issue in deepmd-kit repo.

@WHUweiqingzhou
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I am agree with @caic99. Please reopen it if you meet any problem from ABACUS side.

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