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Feature: Make BPCG support band parallelism #5873
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Qianruipku
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Qianruipku
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Bugs
Bugs that only solvable with sufficient knowledge of DFT
GPU & DCU & HPC
GPU and DCU and HPC related any issues
Features Needed
The features are indeed needed, and developers should have sophisticated knowledge
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Jan 28, 2025
Qianruipku
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Try make BPCG support band parallelism
Feature: Make BPCG support band parallelism
Jan 28, 2025
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Labels
Bugs
Bugs that only solvable with sufficient knowledge of DFT
Features Needed
The features are indeed needed, and developers should have sophisticated knowledge
GPU & DCU & HPC
GPU and DCU and HPC related any issues
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Arrange the order in read_input
Change the name about band parallel communication world.
Fix #5871
Make BPCG support band parallelism (bndpar > 1)
Make sDFT support BPCG with bndpar > 1
Make GPU support sDFT with BPCG and bndpar > 1
Fix BPCG's bug of using uninitialized values and update 102_PW_BPCG
Add integral tests for new features