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View Code? Open in Web Editor NEWScript for automatically submitting PBS jobs, significantly simplifying routine calculations.
License: MIT License
Script for automatically submitting PBS jobs, significantly simplifying routine calculations.
License: MIT License
Currently when a job fails the output file is left on the node making it difficult to diagnose the submission issue.
ACISS went down permanently and the new Talapas cluster uses SLURM instead of PBS requiring a translation of the script from one language to the other.
Create a .pbs file for running GAMESS as well as gaussian
Running a variety of .pbs files requires a more general directory structure
Write user friendly, highly commented empty .bash and .pbs scripts.
Test file does not work
Add all necessary folders and a test input file.
Now that the input/output/etc folders are in the repo directory a gitignore file should be added to ignore generated files.
Creating to split 7-fchk into the check file formatting and a README update
Add chk file formatting
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