How to process results from a large-scale docking

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Written by Jiankun Lyu, 20171018

Check for completion and resubmit failed jobs

In a large calculation such as this one with tens of thousands of separate processes, it is not unusual for some jobs to fail for some reason. Checking for successful completion, and re-starting failed processes, is a normal part of running such a large job.

Run the script below in your docking directory

csh /nfs/home/tbalius/zzz.github/DOCK/docking/submit/get_not_finished.csh

This script puts all the directories of failed jobs in a file called dirlist_new. Before resubmiting those jobs, I