Feature: Make BPCG support band parallelism #5873
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Qianruipku
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Qianruipku
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mohanchen
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Feb 1, 2025
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Fisherd99
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Mar 31, 2025
* move kpar into read_input_item * add para_linear_transform_op * arrange the order in read_input * change name * fix compile * make bpcg support bndpar > 1 * fix BPCG * fix bug in sDFT-BPCG * make sdft+bpcg support GPU * update results * fix bug in BPCG * fix tests * fix test * update results * update results * [pre-commit.ci lite] apply automatic fixes * update --------- Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
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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