ISISNeutronMuon / ISISNeutronMuon/MDANSE

[ENHANCEMENT] DASK and MDANSE

Open
#443 1 comment 0 reactions 0 assignees View on GitHub
enhancement
Dominant language
Python
Stars
29
Forks
8
Avg merge
2d 12h
Merged PRs (30d)
9

Description

**Describe the solution you'd like**
Currently, we have our internal way of running multiprocessing jobs. Could we use something like DASK to make improve things? This would also mean that we could use MDANSE across multiple nodes on an HPC for instance.

DASK is specifically designed for computation with large arrays. This is quite suitable for our use case since we can have large MD simulations.

**Additional context**
Here is a screenshot from one of their YouTube video. In this example, they load up an HDF file and run some basic computations over it.

![image](https://github.com/ISISNeutronMuon/MDANSE/assets/14276033/72a3bb23-8708-4243-a0d0-c9ec6dc9aff6)

Contributor guide

No contributing guide indexed for this repository

Research direction

The issue does not name files, tests, or an entry point; begin by locating MDANSE's current multiprocessing job implementation. Define how Dask would support large-array work and multi-node HPC execution, then establish tests and acceptance criteria for the integration.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
data-engineering, distributed-systems, hpc
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Quiet
Clarity
Needs clarification
Newbie friendliness
30/100

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