Job hangs after “Finished Hmmsearch” when genetic databases are located on GPFS

[ZQyou]

When running AlphaFold 3.0.0 with the genetic databases stored on GPFS, the process hangs after reaching the “Finished Hmmsearch” step, and no active processes are observed. This issue does not occur when the databases are stored on local storage.

The installation documentation recommends storing the databases on local storage for better performance. Does this imply that GPFS should not be used for database storage?

[Augustin-Zidek]

Are you running the latest version of the code?

We've improved templates performance quite a bit, especially in d6b06d6, but see the whole discussion and fixes in #88 that impact template search speed.

I hope that updating the code to the latest version and un-taring the mmCIF files should speed things up significantly and that the code should be useable with GPFS.

[ZQyou]

No, I wasn’t using the latest version of the code. I believe I built the container based on the v3.0.0 branch. I’ll give it another try. Thank you!

[ZQyou]

I have confirmed that the issue is resolved with the latest version of the code. Thank you!