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BPCG can support band parallelism #5871

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14 tasks
Qianruipku opened this issue Jan 19, 2025 · 0 comments · May be fixed by #5873
Open
14 tasks

BPCG can support band parallelism #5871

Qianruipku opened this issue Jan 19, 2025 · 0 comments · May be fixed by #5873
Labels
Diago Issues related to diagonalizaiton methods

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@Qianruipku
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Background

When using mdft, it is limited by KSDFT, which does not support band parallelism

Describe the solution you'd like

Make BPCG support band parallelism

Task list only for developers

  • Notice possible changes of behavior
  • Explain the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi

Notice Possible Changes of Behavior (Reminder only for developers)

No response

Notice any changes of core modules (Reminder only for developers)

No response

Notice Possible Changes of Core Modules (Reminder only for developers)

No response

Additional Context

No response

Task list for Issue attackers (only for developers)

  • Review and understand the proposed feature and its importance.
  • Research on the existing solutions and relevant research articles/resources.
  • Discuss with the team to evaluate the feasibility of implementing the feature.
  • Create a design document outlining the proposed solution and implementation details.
  • Get feedback from the team on the design document.
  • Develop the feature following the agreed design.
  • Write unit tests and integration tests for the feature.
  • Update the documentation to include the new feature.
  • Perform code review and address any issues.
  • Merge the feature into the main branch.
  • Monitor for any issues or bugs reported by users after the feature is released.
  • Address any issues or bugs reported by users and continuously improve the feature.
@mohanchen mohanchen added the Diago Issues related to diagonalizaiton methods label Jan 21, 2025
@Qianruipku Qianruipku linked a pull request Jan 21, 2025 that will close this issue
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Labels
Diago Issues related to diagonalizaiton methods
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