I have three different parameter sweeps (not nested) that I want to do on 5 different structures. I think I could figure out how to write a script to add the five filenames to the job queue (with “addjob”) but how can I queue up the different parameter sweeps? Each sweep is about 30 minutes so I’d like to just be able to queue it all up to run overnight.
You need to have all the files (including sweep files) saved before adding them to the queue. Would loading the files for 5 different structures and then running the sweep is what you want? If this is the case, you can use the load and then runsweep script commands:
Please let me know if you have any concerns.
Sounds promising. So I could create the five MODE files with the 3 sweeps in each file and write/run a script like:
load(device1.fsp) runsweep; save(device1.fsp) load(device2.fsp) runsweep; save(device2.fsp)
and so on? Do I need to close each file before opening a new one?