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Nexus: enable samples tag with batched drivers #5134

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merged 2 commits into from
Aug 22, 2024

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prckent
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@prckent prckent commented Aug 19, 2024

Proposed changes

(Wait for CI - may need a testing fix. May have local OpenMPI trouble with Nexus.)

Support samples tag in batched drivers. Uncomments @jtkrogel 's orginal disablement. Closes #5126

Also, no-longer write unused nonlocalpp and use_nonlocal_pp_deriv tags to avoid deprecation warning.

Tested on one run vs the old code. Also checked automatic computation of steps by QMCPACK was correct.

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?

nitrogen2, nightly gccnewmpi config.

Checklist

  • Yes. This PR is up to date with current the current state of 'develop'
  • NA. Code added or changed in the PR has been clang-formatted
  • No. This PR adds tests to cover any new code, or to catch a bug that is being fixed
  • No. Documentation has been added (if appropriate)

@prckent prckent marked this pull request as draft August 19, 2024 21:18
@prckent prckent marked this pull request as ready for review August 19, 2024 21:41
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prckent commented Aug 19, 2024

Test this please

@ye-luo ye-luo requested a review from jtkrogel August 19, 2024 22:34
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LGTM

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ye-luo commented Aug 22, 2024

Test this please

@ye-luo ye-luo enabled auto-merge August 22, 2024 17:04
@ye-luo ye-luo merged commit 2933fce into QMCPACK:develop Aug 22, 2024
38 of 39 checks passed
@prckent prckent deleted the nxbatchedsamples branch September 19, 2024 21:44
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Nexus: support samples with batched drivers
3 participants