👌 IMPROVE: "Running workflows" module #356
Labels
priority/mission-critical
Needs to be fixed (before next event)
section/running-calculations
Sections on running calculations and workflows
type/improve
Improving already existing content
After a discussion with @ramirezfranciscof and @flavianojs (also see #339 (comment)), we decided that the second hands-on session should focus on running calculations in general, i.e. not just running calculation jobs. This was a very good point raised by @ramirezfranciscof, in that it would be weird to split up the example for running a single calculation and then running a full workflow, with the data section in between.
So, we'll move the
PwBandsWorkChain
related content from the BIGMAP/ABC/QEschool into a separate module on "Running workflows". This will show the user:verdi plugin list
) and load the work chainget_builder_from_protocol()
method.This makes for a rather small module though. While this is not necessarily a big problem, one option of making this somewhat more interesting is having them import a bunch more structures and loop over them to submit several work chains. It will become clear that you have to start organising your data somewhat in case you do this, and so this naturally guides them to the concept of groups. Just an idea!
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