Binary Search for Best Atom Number in Efficiency Test

[SchrodingersCattt]

No description provided.

[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 64.37%. Comparing base (142c94a) to head (8e30bbe).
Report is 22 commits behind head on main.

Additional details and impacted files

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  Coverage   64.37%   64.37%           
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  Files          33       33           
  Lines        1457     1457           
  Branches      170      170           
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  Hits          938      938           
  Misses        482      482           
  Partials       37       37           

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[Copilot]

Pull Request Overview

This PR enhances the inference efficiency calculation by introducing a binary search algorithm to determine the maximum safe scaling factor before an out-of-memory (OOM) error occurs during energy/force computations. Key changes include the addition of the find_maximum_scaling function, the introduction of a new "binary_search" mode in the inference functions, and a stub file (binary_search.py) indicating a pending rename.

Reviewed Changes

Copilot reviewed 2 out of 2 changed files in this pull request and generated no comments.

File	Description
lambench/tasks/calculator/inference_efficiency/inference_efficiency.py	Adds binary search-based scaling and mode parameter updates for improved performance monitoring
lambench/tasks/calculator/inference_efficiency/binary_search.py	Introduces a stub file with a TODO indicating a planned file rename

Comments suppressed due to low confidence (1)

lambench/tasks/calculator/inference_efficiency/binary_search.py:1

• [nitpick] The binary_search.py file currently only includes a placeholder comment. Consider renaming the file to more clearly indicate its purpose (e.g., 'scaling_binary_search.py') once its functionality is defined.

## TODO: RENAME...