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deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
1.41k stars 487 forks source link

fix(pt): improve out-of-memory handling #3836

Closed njzjz closed 1 month ago

njzjz commented 1 month ago

Summary by CodeRabbit

coderabbitai[bot] commented 1 month ago

Walkthrough

The is_oom_error function in auto_batch_size.py has been updated to handle an additional out-of-memory error related to CUSOLVER_STATUS_INTERNAL_ERROR. If this error or the standard "CUDA out of memory" message is detected, the function now releases cached memory using torch.cuda.empty_cache() before returning True.

Changes

File Change Summary
deepmd/pt/utils/auto_batch_size.py Updated is_oom_error function to handle "CUSOLVER_STATUS_INTERNAL_ERROR" and release cached memory before returning True.

Sequence Diagram(s) (Beta)

sequenceDiagram
    participant User
    participant System
    participant GPU
    participant torch

    User->>System: Run computation
    System->>GPU: Execute task
    GPU-->>System: Return error (e.g., CUDA out of memory, CUSOLVER_STATUS_INTERNAL_ERROR)
    System->>System: Check if error is OOM
    alt Error is OOM
        System->>torch: torch.cuda.empty_cache()
        torch-->>System: Cache cleared
        System->>User: Return True
    else Error is not OOM
        System->>User: Return False
    end

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codecov[bot] commented 1 month ago

Codecov Report

Attention: Patch coverage is 0% with 4 lines in your changes are missing coverage. Please review.

Project coverage is 82.52%. Comparing base (12bcc50) to head (d3fa08c).

Files Patch % Lines
deepmd/pt/utils/auto_batch_size.py 0.00% 4 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## devel #3836 +/- ## ========================================== - Coverage 82.53% 82.52% -0.01% ========================================== Files 513 513 Lines 49040 49043 +3 Branches 2987 2985 -2 ========================================== Hits 40473 40473 - Misses 7656 7659 +3 Partials 911 911 ```

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