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Do not use large extra memory in force.cpp #4162

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dyzheng opened this issue May 13, 2024 · 0 comments
Open
9 tasks

Do not use large extra memory in force.cpp #4162

dyzheng opened this issue May 13, 2024 · 0 comments
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High Priority Bugs which needs to be fixed ASAP.

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@dyzheng
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dyzheng commented May 13, 2024

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This function https://github.com/deepmodeling/abacus-develop/blob/develop/source/module_hamilt_pw/hamilt_pwdft/forces.cpp#L950
will allocate extra memory of vkb , which should be refactored with the same method of stress.

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.
@dyzheng dyzheng added the Performance Issues related to fail running ABACUS label May 13, 2024
@mohanchen mohanchen added High Priority Bugs which needs to be fixed ASAP. and removed Performance Issues related to fail running ABACUS labels May 13, 2024
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