Skip to content

updates to WalkerControl to have useful walker_ids#5089

Merged
ye-luo merged 7 commits into
QMCPACK:developfrom
PDoakORNL:walkerid_walkercontrol
Jul 25, 2024
Merged

updates to WalkerControl to have useful walker_ids#5089
ye-luo merged 7 commits into
QMCPACK:developfrom
PDoakORNL:walkerid_walkercontrol

Conversation

@PDoakORNL

Copy link
Copy Markdown
Contributor

Proposed changes

Walker ID's in batched version of the drivers should now supply trackable walker ID's

supercedes #5010

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

Delete the items that do not apply

  • New feature
  • Testing changes (e.g. new unit/integration/performance tests)
  • Documentation or build script changes

Does this introduce a breaking change?

  • No

What systems has this change been tested on?

OSX laptop
x86 build

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

@prckent

prckent commented Jul 16, 2024

Copy link
Copy Markdown
Contributor

Test this please

@PDoakORNL PDoakORNL marked this pull request as ready for review July 18, 2024 15:16
@PDoakORNL PDoakORNL force-pushed the walkerid_walkercontrol branch from a8b0cca to 3221638 Compare July 18, 2024 15:17
@PDoakORNL

Copy link
Copy Markdown
Contributor Author

This is ready for review

Comment thread src/QMCDrivers/DMC/WalkerControl.cpp Outdated
Comment thread src/QMCDrivers/DMC/WalkerControl.cpp Outdated
throw std::runtime_error("Potential bug! Population num_global_walkers mismatched!");
#endif

// If we are in warmup it think it should be a fatal error is walker->Multiplicity != 1.0

Copy link
Copy Markdown
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

DMC warmup follow normal branching. Only the first iteration flags do_not_branch.

Copy link
Copy Markdown
Contributor Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Ah ok

Copy link
Copy Markdown
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Remove this comment?

Comment thread src/QMCDrivers/DMC/WalkerControl.cpp Outdated
#include "type_traits/template_types.hpp"
#include "QMCWaveFunctions/TrialWaveFunction.h"

#include "Utilities/for_testing/NativeInitializerPrint.hpp"

Copy link
Copy Markdown
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Either move it out of the test space as a generic feature or avoid using it.

Copy link
Copy Markdown
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

?

Copy link
Copy Markdown
Contributor Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

removing, sorry thought I'd pushed this.

Comment thread src/QMCDrivers/DMC/WalkerControl.h Outdated
Comment thread src/QMCDrivers/tests/test_WalkerControl.cpp Outdated
Comment thread src/QMCDrivers/tests/test_WalkerControl.cpp Outdated
@PDoakORNL PDoakORNL requested a review from ye-luo July 25, 2024 17:35

@ye-luo ye-luo left a comment

Copy link
Copy Markdown
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Please address the two remaining conversation. On a side note, I ran a DMC simulation and everything is fine.

@ye-luo

ye-luo commented Jul 25, 2024

Copy link
Copy Markdown
Contributor

Test this please

@ye-luo ye-luo enabled auto-merge July 25, 2024 19:57
@ye-luo ye-luo merged commit 62d5235 into QMCPACK:develop Jul 25, 2024
@ye-luo ye-luo mentioned this pull request Jul 25, 2024
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

3 participants