Not all IGRs get processed completely:
Problem: Slow HPC file system.
Solution: Added "sleep" to delay next job execution.
Results of bigmem processed IGRs never go through remaining job steps:
Problem: Fix_coords job step doesn't wait for bigmem job step to complete.
Solution: Assigned the proper jobID to the Fix_coords dependency setting.
CMfinder output reports "File Not Found" when trying to process an IGR that had no CMsearch hits:
Problem: The CMfinder job step blindly processes all IGRs.
Solution: Flag IGRs that have no hits with a file called "NO_HITS_FOUND".
Then use this file to conditionally process IGRs with CMfinder.
Enhancements:
Flag IGRs that have no hits with a visual indicator (a file inside the IGR folder).
This will aid users during the post-processing audit of results, and reduce "help" calls.
Removed unnecessary and confusing text generated by dSQ (deadSimpleQueue) that said
"Use the following sbatch command to submit your job..."
Set a proper file name for the dsq_bigmem job submittal output and added command logging into it.
BugFixes: