ColabFold
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Extremely slow `expandaln` step in `colabfold_search`
Expected Behavior
colabfold_search executes for 10 sequences on the hours timescale
Current Behavior
colabfold_search for 10 sequences essentially hangs on expandaln (very slow progress bar, it will take 24 hours at this rate)
Note I am running it with 40 threads
Steps to Reproduce (for bugs)
I setup the databases locally without and index.
I had originally tried doing it with an index and db-load-mode 0 since I have NVMe storage. This completely hangs on the first prefiltering step and makes no progress. I thought maybe it had to do with limitations of the node I am on on my HPC cluster (104 cores, 200 GB)
I only have access to nodes with a max of 750 GB RAM, so I don't think in memory index is an option
Is this speed expected given I am indexing on the fly? If not, how can I optimize the speed without in memory index?
Thanks for your time and work.