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Atomic neighborhood construction is computationally inefficient for large-scale systems #5124

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LiuXiaohui123321 opened this issue Sep 18, 2024 · 0 comments · May be fixed by #5125
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Performance Issues related to fail running ABACUS

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Atomic neighborhood construction is computationally inefficient for large-scale systems. For example,
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Task list for Issue attackers (only for developers)

  • Reproduce the performance issue on a similar system or environment.
  • Identify the specific section of the code causing the performance issue.
  • Investigate the issue and determine the root cause.
  • Research best practices and potential solutions for the identified performance issue.
  • Implement the chosen solution to address the performance issue.
  • Test the implemented solution to ensure it improves performance without introducing new issues.
  • Optimize the solution if necessary, considering trade-offs between performance and other factors (e.g., code complexity, readability, maintainability).
  • Review and incorporate any relevant feedback from users or developers.
  • Merge the improved solution into the main codebase and notify the issue reporter.
@LiuXiaohui123321 LiuXiaohui123321 added the Performance Issues related to fail running ABACUS label Sep 18, 2024
@LiuXiaohui123321 LiuXiaohui123321 linked a pull request Sep 18, 2024 that will close this issue
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