google-deepmind / google-deepmind/alphafold

OOM error for 4000 length monomer strucuture prediction

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Description

Hello,

I’m trying to predict monomer structure of length 4000 protein on 80G A100 NVIDIA GPU, the readme says the maximum length of prediction is more than 5000, while an OOM error occurs as below, are there some special settings need to be set to run prediction of length 5000 protein?

‘’‘ log
BufferAssignment OOM Debugging.
BufferAssignment stats:
parameter allocation: 3.25GiB
constant allocation: 38.6KiB
maybe_live_out allocation: 4.18GiB
preallocated temp allocation: 77.25GiB
preallocated temp fragmentation: 976B (0.00%)
total allocation: 84.69GiB
total fragmentation: 4.10GiB (4.85%)
'''

Environment settings:
Alphafold : commit id 3f31725591b0c6b0b6d63214235d3abe6b81742c, Mon Mar 27
jax: 0.3.25
jaxlib: 0.3.24+cuda11.cudnn805
80G A100 NVIDIA GPU

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