How to queue up multiple sweeps in MODE


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.


Hi @nfahrenkopf

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:


and so on? Do I need to close each file before opening a new one?


Hi @nfahrenkopf

The MODE files extension is .lms. You load the file 1 and run the sweep, and then extract the parameters of interest. Then load the file 2 etc.

And no, no need to close the file. Loading a new file will replace the old file with the new one.