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Implement DLA in legacy CUDA #2887

Merged
merged 3 commits into from
Feb 10, 2021
Merged

Implement DLA in legacy CUDA #2887

merged 3 commits into from
Feb 10, 2021

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prckent
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@prckent prckent commented Feb 10, 2021

Proposed changes

Implement the DLA method in the legacy CUDA code. The NLRatio calls and the plumbing to them are updated following the easy to follow recipe used in the CPU code by @ye-luo.

We don't have established DLA tests for any implementation. I will create some in a later PR.

I verified on a water molecule that the energies were appropriately close to the CPU implementation. In the legacy CUDA code the timings for J1NL* and J2NL* operations not in the output when DLA is enabled indicating that the code is working.

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?

Nitrogen ( AMD Rome + NVIDIA V100 ).

Checklist

  • Yes. This PR is up to date with current the current state of 'develop'
  • Yes. 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 ready for review February 10, 2021 01:11
ye-luo
ye-luo previously approved these changes Feb 10, 2021
@ye-luo ye-luo merged commit f7085ad into QMCPACK:develop Feb 10, 2021
@prckent prckent deleted the dlacuda branch March 23, 2021 14:31
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2 participants