TheoChem-VU / TCutility

Utility functions/classes for the TheoCheM programs
https://theochem-vu.github.io/TCutility/
MIT License
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Problem with dependencies not being properly set for finished calculations #206

Open YHordijk opened 7 months ago

YHordijk commented 7 months ago

Currently when running a workflow with dependencies there will be issues when some of the calculations are still running. This is because the jobid is set when submitting a job, however when a job is still in the queue we do not set the slurm id because we do not resubmit it. To fix this we should try to get the slurmjobid from the squeue command by matching the working directory.