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jwohlwend / boltz

Official repository for the Boltz-1 biomolecular interaction model
MIT License
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How much GPU memory needed in general? #8

Open sheng19331 opened 2 hours ago

sheng19331 commented 2 hours ago

Great job! Thanks for sharing the tool. Do you have recommendations for the GPU memory to run a prediction? I was trying to run the prediction in the examples with 4090(24GB), but it failed with 'ran out of the memory'. Is it possible to run a prediction with boltz-1 by such GPU? Thanks.

RuikangSun commented 2 hours ago

I failed with RTX 3090 in my lab, but surprisingly succeed with CPU mode.

hazirliver commented 1 hour ago

I also failed on 24GB (RTX 4090), but succeeded with RTX A6000 (48GB). The peak memory consumption during the run for example run ligand.fasta was approximately 33G

jwohlwend commented 41 minutes ago

Hi all, yes the example file is actually fairly large. I'll make a smaller one. We'll be adding an option today to lower memory consumption with bit of slowdown as tradeoff. Will report back here when it's on the main branch!

sheng19331 commented 30 minutes ago

Hi all, yes the example file is actually fairly large. I'll make a smaller one. We'll be adding an option today to lower memory consumption with bit of slowdown as tradeoff. Will report back here when it's on the main branch!

Thanks for the prompt feedback. That would be great to add an option to adjust the memory consumption for the GPU with a low memory size!