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Add email support to Perlmutter Jobs through Nexus#5571

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prckent merged 1 commit intoQMCPACK:developfrom
brockdyer03:develop
Jul 10, 2025
Merged

Add email support to Perlmutter Jobs through Nexus#5571
prckent merged 1 commit intoQMCPACK:developfrom
brockdyer03:develop

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@brockdyer03
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Proposed changes

Some supercomputers supported by Nexus have the ability to include an email in the job's sbatch file, however this feature was lacking for Perlmutter. This PR adds in the code required to both add the email into the job header, and also set --mail-type=ALL to make sure the user receives emails regarding their job. This is consistent with the other supercomputers that already have support for job emails.

What type(s) of changes does this code introduce?

  • New feature

Does this introduce a breaking change?

  • No

What systems has this change been tested on?

This has been tested on Perlmutter using a simple python script to call Nexus and create a job for a Quantum ESPRESSO calculation.

Checklist

    • I have read the pull request guidance and develop docs
    • This PR is up to date with the current state of 'develop'
    • Code added or changed in the PR has been clang-formatted
    • This PR adds tests to cover any new code, or to catch a bug that is being fixed
    • Documentation has been added (if appropriate)

Added 3 lines of code that check for an email in the job and add in an email to the sbatch file created in `Perlmutter.write_job_header()`.
@prckent
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prckent commented Jul 10, 2025

Many thanks for your contribution.

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prckent commented Jul 10, 2025

Test this please

@prckent prckent enabled auto-merge July 10, 2025 14:39
@prckent prckent merged commit fe08b35 into QMCPACK:develop Jul 10, 2025
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2 participants