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Make solve_ΩplusK MPI-compatible #1005

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merged 4 commits into from
Oct 28, 2024

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Technici4n
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Only the dot and norm in the CG solver had to be made MPI-compatible.

Some quick numbers from benchmarking an operation dominated by solve_ΩplusK on my computer:

MPI processes running time
1 97.7s
2 49.4s
4 27.5s

@antoine-levitt
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Nice! Can you move mpi_dot and mpi_norm to mpi.jl? (potentially we should audit the code base to see if there are other places that could use it as well) Also not worth documenting the mpi in that file (things are already complicated enough and the mpi is pretty simple here).

@Technici4n
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Done.

potentially we should audit the code base to see if there are other places that could use it as well

I just did a quick search for mpi_sum and did not find other places :)

@mfherbst mfherbst enabled auto-merge (squash) October 24, 2024 09:45
@mfherbst mfherbst merged commit 0465c41 into JuliaMolSim:master Oct 28, 2024
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@Technici4n Technici4n deleted the mpi-aware-omegaplusK branch October 28, 2024 20:29
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3 participants