Egor Marin

Egor Marin

BSc/MSc in applied mathematics and physics. Coded a lot, administered Linux workstations a lot, did a bit of wet biology and applied machine learning.

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GSOC-2023: summary

7 minute read

Published:

As you might know from my previous posts, during the summer of 2023 I’ve been working on MDAnalysis’s project during Google Summer of Code. Here I’ll summarize what I’ve done, how others can use it, and what changes will follow that in the MDAnalysis codebase in the near future.

(not anymore bi)weekly GSOC-3: writing ParallelExecutor class

6 minute read

Published:

In the previous blogpost, I briefly explained how decomposition works – we split all _single_frame() runs into independent groups that get executed in parallel. For this, we have _compute method that executes the frames group, and run method that orchestrates the _compute execution.

Biweekly GSOC-2: splitting the work and writing _setup_bslices

6 minute read

Published:

In the previous blogpost, I briefly explained how I’m planning to decompose the AnalysisBase.run() method, so that its subclasses won’t notice the changes in the protocol, but at the same time will be able to perform computations in a parallel manner.

GSOC 2023: what will I do?

8 minute read

Published:

This year I applied for the Google Summer of Code program, and luckily was selected as a contributor for MDAnalysis with my proposal for a parallel analysis project, extending the idea suggested by the developers.

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