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BSDExabio / PSP

protein structure prediction
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Write protein processing information to separate CSV file. #9

Closed markcoletti closed 2 years ago

markcoletti commented 3 years ago

Information regarding processing each protein should be accumulated in a separate CSV file. This would capture start and stop times as well as whether the protein was successfully processed. This CSV file will later be processed for the processing times for each protein, and can be used to automate re-processing of proteins that failed to process, likely due to out of memory errors.

markcoletti commented 2 years ago

I'll start this tomorrow morning. But, note to self:

Write out the hostname, process ID, protein, start eval time, and end eval time.

markcoletti commented 2 years ago

Also, I should just move common.env to the parent directory since, well, it does contain common environment variable settings, and nothing in that file is tightly coupled to a given run.

markcoletti commented 2 years ago

Run went well. Output in /gpfs/alpine/bip198/scratch/mcoletti/runs/issue-9/1441311/. I'm making a tar ball now.

Meanwhile, the CSV file seems to be as I wanted, so I'm closing this issue.