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He also has scripts for dealing with jobs and determining if they are done. These are not as "clean" – that is, they won't just work for you like the two scripts above should, so they are in the "devel" subdirectory. The one he uses for dealing with the hundreds of alloys he screens is called "checkdone.py". He organizes the output with "analyze". Both have the "-h" option enabled, so you might get an idea of how he approached the problem but they probably won't work directly for you.
More Info from Andy on Job Submission
The basic python tool I use in submitting large numbers of jobs is:
from string import Template
With that, you first read in a template file with ${keyword} in all the places you want to make substitutions, and then use the Template class to make the substitutions. The ${keyword} can potentially be as simple as a lattice constant or as complex as several lines of (ASE) code. Within the directory you looked at (20110110_alloys), take a look at the script:
makescripts-OH.py
That has the procedure for all of my runs with OH on something like 1400 surfaces. This script is obviously a bit complicated. I copied a much simpler implementation of the same concept into the below directory. Check it out and let me know if it makes sense to you:
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/a/suncatfs1/u1/aap/temp/adam-example
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Some Utilities from AJ Medford
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