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Multideterminant Batch code [Part 3 of Offload] #3892

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merged 21 commits into from
Mar 9, 2022

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anbenali
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@anbenali anbenali commented Mar 2, 2022

Please review the developer documentation
on the wiki of this project that contains help and requirements.

Proposed changes

All variables in Batched Multideterminant implementation have a dual view, host and device.
Multiple functions related to Phi->evaluateXXX do not have a batched or GPU implementations and required to send only the host view. Following those calls require either to send the result to the device using the XXX.updateTo() function or later, for those values to be computed on the GPU directly.

This PR belongs to the general effort aiming at generating a GPU implementation of the multideterminant code. #3830

This is part 3: All Variables needed by Table method have dual View Host/Device.

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

Delete the items that do not apply

  • Refactoring (no functional changes, no api changes)

  • Other (please describe): GPU capability

Does this introduce a breaking change?

  • Yes

What systems has this change been tested on?

Laptop

Checklist

Update the following with a yes where the items apply. If you're unsure about any of them, don't hesitate to ask. This is
simply a reminder of what we are going to look for before merging your code.

  • 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
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prckent commented Mar 2, 2022

Test this please

@anbenali anbenali changed the title [WIP] Multideterminant Batch code [Part 3 of Offload] Multideterminant Batch code [Part 3 of Offload] Mar 7, 2022
@anbenali anbenali mentioned this pull request Mar 7, 2022
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@ye-luo
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ye-luo commented Mar 7, 2022

Test this please

@anbenali
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anbenali commented Mar 7, 2022

All requests from @ye-luo addressed. Once this is merged, It will be the baseline for comparing performance.

@ye-luo
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ye-luo commented Mar 7, 2022

Test this please

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LGTM need non-ANL review/approval

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ye-luo commented Mar 8, 2022

Test this please

@anbenali anbenali requested review from PDoakORNL and prckent March 8, 2022 16:44
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Very very minor request: I understand that the ///PRAGMA OFFLOAD comments are for part 4, but please tidy:
///This function needs really to be ported...
and any similar commentary in the touched source code. These have a habit of remaining for a long time and lose context.

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anbenali commented Mar 9, 2022

@prckent : Comments are removed

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Thanks Anouar.

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prckent commented Mar 9, 2022

Test this please

@prckent prckent enabled auto-merge March 9, 2022 13:51
@prckent prckent merged commit 4882616 into QMCPACK:develop Mar 9, 2022
@anbenali anbenali deleted the MSD-Offload_Part3 branch September 13, 2022 21:34
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3 participants