instadeepai / instadeepai/protein-structure-tokenizer
Memory issues on GPU
- Dominant language
- Python
- Stars
- 42
- Forks
- 6
- PR merge metrics
- No merged PRs in 30d
Description
Hi all,
Getting issues running on A100 GPU with batch size of 1 on the CASP 14 PDBs. Running the following command
`python scripts/tokenize_pdb.py --token_save_path ./test_tokens --pdb_dir casp14_pdbs --backend gpu --batch_size_per_device 1`
gets the following error:
```
... [Omitted] ...
---Devices---
local device count: 1
2025-07-22 08:48:33 | 179132 | INFO | tokenize_pdb:main:60 | params loaded
0%| | 0/31 [00:00
Contributor guide
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Research direction
Start with scripts/tokenize_pdb.py and reproduce the reported command on an A100 using the listed environment, focusing on the cuDNN initialization failure. Done means the command can tokenize a single structure with batch size 1, or the incompatibility and required environment changes are documented with a reproducible result.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- machine-learning
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100