Parallel multinode dask question

[Ropon-Palacios G.]

Dear users,

 

Anybody have idea (share me more comprehensive example that into website), of as use Dask to make parallel work into multimode HPC using MDAnalysis?

 

Bests,

 

Geo.

[Oliver Beckstein]

Hi Geo,

I can think of the following currently available resources:

https://userguide.mdanalysis.org/2.0.0-dev0/examples/analysis/custom_parallel_analysis.html : multiprocessing and dask

Day 3 of https://github.com/MDAnalysis/WorkshopPrace2021 : multiprocessing and MPI

https://www.mdanalysis.org/pmda/ : experimental dask-based parallel MDAnalysis

https://github.com/mnmelo/mdreader : Manel’s multiprocessing-based solution

http://conference.scipy.org/proceedings/scipy2021/edis_jakupovic.html parallel analysis with MPI (and the HDF5 format)

Oliver

--

Oliver Beckstein (he/his/him)

email: orbe...@mdanalysis.org
twitter: @orbeckst

MDAnalysis – a NumFOCUS fiscally sponsored project

https://www.mdanalysis.org/

[Ropon-Palacios G.]

Thank so much Prof. Beckstein.

 

Best,

 

Geo.

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