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March 13, 2017 11:57
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Parallel analysis with MDAnalysis and dask
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Hi @mrocklin, we are still very interested in dask + MDAnalysis. A student, @mkhoshle , has recently been working with it and did some benchmarking, see
She found pretty good scaling on a single node using
dask.multiprocessing.get
but performance problems withdistributed.Client.get
and I think she was about to get in touch at some point. The report is pretty long and a lot in it relates to the difficulty of ingesting data (different file formats that are in use in our field were benchmarked) but towards the end there's data on distributed.@mkhoshle is also on https://gitter.im/dask/dask (I think) so you can certainly also have a conversation there.
Oliver