GPU requirements for AQAffinity inference

#22
by vlasisp - opened

Hello everyone,
i am trying to run inference for aqaffinity using the L100 example, but there is an error occuring regarding the GPU of my machine, which is the following:

ERROR:openfold3.projects.of3_all_atom.runner:Failed for query_id(s) L1001: Unable to JIT load the evoformer_attn op due to it not being compatible due to hardware/software issue. None. See /home/vlasis/aqaffinity/results_18_Feb_2026/logs/predict_err_rank0.log for details.
/home/vlasis/miniconda3/envs/aqaff/lib/python3.10/site-packages/pytorch_lightning/loops/prediction_loop.py:257: predict returned None if it was on purpose, ignore this warning...
Seed set to 16
ERROR:openfold3.projects.of3_all_atom.runner:Failed for query_id(s) L1002: Unable to JIT load the evoformer_attn op due to it not being compatible due to hardware/software issue. None. See /home/vlasis/aqaffinity/results_18_Feb_2026/logs/predict_err_rank0.log for details.
Seed set to 16

is there any minimum hardware compatibility requirement for exeuting aqaffinity, in terms of GPU and cuda libraries ?

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