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Add kspace jastrow batched test #5353

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Merged
merged 4 commits into from
Mar 3, 2025
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prckent
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@prckent prckent commented Mar 2, 2025

Proposed changes

Add batched version of existing short test.

Also, remove offload checks in CMakeLists.txt

In part motivated by #5348 . The new test passes on CPUs.

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

  • Testing changes (e.g. new unit/integration/performance tests)

Does this introduce a breaking change?

  • No

What systems has this change been tested on?

Ubuntu24, AOCC+AOCL

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
  • NA. This PR adds tests to cover any new code, or to catch a bug that is being fixed
  • NA. Documentation has been added (if appropriate)

@prckent
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prckent commented Mar 2, 2025

Test this please

qmc_short_kspace_4_4
qmc_short_kspace_4_4.in.xml
4
4
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This test seems being added legacy only. If we only intend to have this test either legacy or batch, I think batch is preferred.

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The batched driver test is added at line 103. The ones above are not new, except I changed them to always run. Since the tests are fast, I think we should keep both tests to reduce the chance for problems.

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@ye-luo ye-luo Mar 3, 2025

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I see. Do you plan to add this 4x4 case to batched as well in this PR?

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I can if you would like it added. Since the Jastrows involve no parallelism, I generally don't think they add much. Your call.

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Please do it in this PR and we won't rediscover missing coverage.

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Added. Also added samples check.

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ye-luo commented Mar 3, 2025

Test this please

@ye-luo ye-luo enabled auto-merge March 3, 2025 22:32
@ye-luo ye-luo merged commit fc10941 into QMCPACK:develop Mar 3, 2025
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2 participants