check scheduler names - Githubissues

MDAnalysis / pmda

Parallel algorithms for MDAnalysis

https://www.mdanalysis.org/pmda/

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check scheduler names #102

Closed orbeckst closed 4 years ago

orbeckst commented 5 years ago

We set the compute() scheduler near https://github.com/MDAnalysis/pmda/blob/34d465b06a8370394e3cb7fc6c4394116614666d/pmda/parallel.py#L332-L337 as

"multiprocessing"
assume single threaded if n_jobs=1
Client (from distributed)

However, in Dask 2.1+ https://docs.dask.org/en/latest/scheduling.html we should use

"processing"
"synchronous"

We need to check that setting the scheduler in PMDA to multiprocessing or single-threaded still works.

Check the versions of dask and their changelog – did they change the names at some time? If so, require a minimal version of dask...

This is also important for testing of schedulers in https://github.com/MDAnalysis/pmda/blob/34d465b06a8370394e3cb7fc6c4394116614666d/conftest.py#L28-L37

orbeckst commented 5 years ago

@nawtrey have a look? :-) (after PR #92 ...)

orbeckst commented 5 years ago

Note: our docs would also need to be changed. https://www.mdanalysis.org/pmda/userguide/parallelization.html