Monitoring the ATG Prescreen

At present, the only way to monitor progress of jobs will be to check status through the Slurm scheduler commands. This will be extended in the future to more natively track progress towards completion. Among the slurm commands for monitoring is the squeue command.

All outputs for successful docking are stored within the ../output-files folder.

For debugging, the slurm errors are contained within the ../workflow/workunits folder.

If a significant number of dockings or jobs failed, then something went wrong, and the problem needs to be resolved and the workflow prepared and run again.

The ATG Prescreen is complete when all workunits/jobs have been successfully completed.