Problem with processing of single timsTOF files

[sebastian-vw]

I have experienced a problem when processing single files acquired with a Bruker timsTOF. There is an error in the scoring step and AlphPept gets stuck and doesn't continue.

This error does not occur when multiple files are processed together.

I have also collected the last entries in the log file:

The entries "Calling score_hdf" and "Found second search psms for scoring" and the following ones from this screenshot are not found in the log files when processing more than 1 file.

This behavior was observed with both v0.4.4 and v0.4.5 and with various .d files acquired with a Bruker timsTOF.

[straussmaximilian]

This seems to be an issue with related to running on a Threadripper System with more than 60 cores.
I found an insightful comment here: pycaret/pycaret#38

Will include a process limit.

[sebastian-vw]

Hi Max,
thanks for the quick reply, sounds like a good solution.
Thanks!