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[BUG]: CUDA OOM error after data extraction from certain number of articles using extract_composition_property_data function #6

Description

@aritraroy24

Describe the bug
CUDA out-of-memory (OOM) error during the data extraction processing using the extract_composition_property_data function.

To Reproduce
Steps to reproduce the behavior:

  1. The previous steps [metadata collection and article processing] should be done beforehand to have the extracted data saved in a CSV file containing the articles with the required property.
  2. Run the extract_composition_property_data function for multiple articles.
  3. After ~45-50 articles, it gives the following error:
ERROR - Error in MaterialsFlow processing for DOI: 10.XXXX/XXXXXXXX. CUDA error: out of memory
Search for `cudaErrorMemoryAllocation' in https://docs.nvidia.com/cuda/cuda-runtime-api/group__CUDART__TYPES.html for more information.
CUDA kernel errors might be asynchronously reported at some other API call, so the stacktrace below might be incorrect.
For debugging consider passing CUDA_LAUNCH_BLOCKING=1
Compile with `TORCH_USE_CUDA_DSA` to enable device-side assertions

Expected behavior
The script should not give the OOM error, and all the articles should be processed without failing.

System & Environment

  • OS: Windows 11
  • Processor: 13th Gen Intel(R) Core(TM) i9-13900HX (2.20 GHz)
  • Installed RAM: 32 GB
  • GPU Enabled: No
  • Terminal: PowerShell
  • Python environment: 3.12.10 (through Python virtual environment)

Additional context
Issue #1 may be related to this issue.

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