/aiida-submission-controller

A prototype of a class to help controlling the number of submissions performed at any given time

Primary LanguagePythonMIT LicenseMIT

AiiDA submission controller

A prototype of a class to help controlling the number of submissions performed at any given time.

This is just a prototype.

It includes an abstract base class that implements the main logic, a very simple example of an implementation to compute a 12x12 addition table, and a main script to run it (and get results and show them).

To use it, you are supposed to launch the script (e.g. in a screen terminal) with something like this:

cd examples
while true ; do verdi run add_in_batches.py ; sleep 5 ; done

where you can adapt the sleep time. Typically, for real simulations, you might want something in the range of 5-10 minutes, or anyway so that at every new run you have at least some new processes to submit, but still less that the maximum number of available slots, to try to keep the 'queue' quite filled at any given time.