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Calc QR with ScaLAPACK using task_manager #10

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merged 12 commits into from
Dec 10, 2021
Merged

Calc QR with ScaLAPACK using task_manager #10

merged 12 commits into from
Dec 10, 2021

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Sideboard
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@Sideboard Sideboard commented Sep 6, 2021 •
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  • Add task manager to evenly distribute matrix A among multiple processors.
  • Use ScaLAPACK to calculate distributed matrix via QR decomposition.
  • Add option condition_number_norm to calculate condition number of matrix A (1-norm, inf-norm, independent of QR).
  • Add option linear_system_dump_file for printing Kmm, Kmn, lambda.

@jameskermode jameskermode mentioned this pull request Sep 7, 2021
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jameskermode reviewed Sep 7, 2021
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Looks good to me, but @albapa should definitely review this as well

Sideboard
Sideboard commented Sep 8, 2021
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I have restructured the changes and removed (almost?) all whitespace and comment changes.

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  • Remove printing of the task manager info to stdout and the additional tm.dist file.
  • Reintroduce option for printing Kmm, Kmn, lambda.
  • Add author info.

albapa
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The first four commits are as before. There are some minor fixes that we talked about. Probably best to view them per commit.

@Sideboard Sideboard requested a review from albapa December 3, 2021 17:25
@albapa albapa merged commit 5845617 into libAtoms:main Dec 10, 2021
@Sideboard Sideboard deleted the scalapack_qr branch January 4, 2022 11:04
@gabor1 gabor1 mentioned this pull request Jul 10, 2021
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@jameskermode jameskermode jameskermode approved these changes

@albapa albapa albapa approved these changes

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@Sideboard @jameskermode @albapa