QMCPACK / QMCPACK/qmcpack

Imbalance with crowd size in optimizer cost function

Open
#3,888 0 comments 0 reactions 1 assignee Claimed by @mdewing View on GitHub
Dominant language
C++
Stars
403
Forks
154
Avg merge
1d 13h
Merged PRs (30d)
90

Description

In #3873, this issue was raised and deferred to a future change.

In QMCCostFunctionBatched checkConfigurations and correlatedSampling, the number of samples is divided by the number of crowds, then by the number of walkers. It would lead to less imbalance if the number of samples were divided by the number of walkers first, then the number of crowds (to make the number of samples per walker more even).

Prior to #3873, the number of walkers per crowd was the same for every crowd. As part of the change to match VMC, the number of walkers per crowd may not be the same for every crowd.

If the number of walkers is evenly divisible the number of crowds, this is not an issue.

Contributor guide

Open the contributing guide

Assessment

This issue has not been assessed yet.

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.