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Add test for QuantumESPRESSO (pw.x) #128

Merged
merged 17 commits into from
May 29, 2024
Merged

Add test for QuantumESPRESSO (pw.x) #128

merged 17 commits into from
May 29, 2024

Commits on Mar 19, 2024

  1. Added test for QE pw.x

    @Crivella
    Crivella committed Mar 19, 2024
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Commits on Apr 3, 2024

  1. Implemented use of DEVICE_TYPES

    @Crivella
    Crivella committed Apr 3, 2024
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Commits on May 7, 2024

  1. Increase time for largest test

    @Crivella
    Crivella committed May 7, 2024
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Commits on May 16, 2024

  1. Add available memory for one of the Snellius partitions, for testing

    Caspar van Leeuwen committed May 16, 2024
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  2. Implement hook for requesting memory from the scheduler

    Caspar van Leeuwen committed May 16, 2024
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  3. Convert to MB before requesting the scheduler, as schedulers (at leas… 

    …t slurm) don't accept fractional memory requests. Rounding in MB we introduce less error
    Caspar van Leeuwen committed May 16, 2024
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  4. Make sure all user defined inputs are in base-2, i.e. gibibytes etc. … 

    …SLURM takes gigabytes (base-10). Torque supposedly takes mebibytes (base-2).
    Caspar van Leeuwen committed May 16, 2024
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  5. Make memory requirement tighter, so that we don't exceed the 1 GB/cor… 

    …e for large task counts
    Caspar van Leeuwen committed May 16, 2024
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  6. Add some memory for standard system configs. Will do aws_mc later...

    Caspar van Leeuwen committed May 16, 2024
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Commits on May 23, 2024

  1. Apply suggestions from code review 

    Fix CI issues

Co-authored-by: Davide Grassano <34096612+Crivella@users.noreply.github.com>
    @casparvl @Crivella
    casparvl and Crivella authored May 23, 2024
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  2. Apply suggestions from code review 

    Apply fixes
    @Crivella
    Crivella authored May 23, 2024
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  3. Merge pull request #1 from casparvl/set_mem_hook 

    Set mem hook
    @Crivella
    Crivella authored May 23, 2024
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  4. Merge branch 'main' into feature-QEpw_test

    @Crivella
    Crivella authored May 23, 2024
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  5. Linting

    @Crivella
    Crivella committed May 23, 2024
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Commits on May 24, 2024

  1. update hortense config

    vsc46128 vscuser committed May 24, 2024
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  2. Merge pull request #2 from laraPPr/QE_update_hortense_config 

    update hortense config
    @Crivella
    Crivella authored May 24, 2024
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  3. lint

    @Crivella
    Crivella committed May 24, 2024
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