Skip to content

Add PPCG block subspace solver#7581

Closed
Silver-Moon-Over-Snow wants to merge 1 commit into
deepmodeling:developfrom
Silver-Moon-Over-Snow:ppcg-block-subspace-refactor
Closed

Add PPCG block subspace solver#7581
Silver-Moon-Over-Snow wants to merge 1 commit into
deepmodeling:developfrom
Silver-Moon-Over-Snow:ppcg-block-subspace-refactor

Conversation

@Silver-Moon-Over-Snow

Copy link
Copy Markdown

Summary

  • add the PPCG diagonalization solver and wire it into the PW hsolver path
  • split PPCG implementation details into focused headers under source/source_hsolver/ppcg
  • use ATen/container LAPACK kernels and ModuleBase vector dot kernels where applicable
  • make the block-subspace strategy the PPCG production path and add PPCG coverage

Tests

  • ctest --test-dir build-ppcg-openmp -R MODULE_HSOLVER_ppcg --output-on-failure
  • ctest --test-dir build-ppcg-openmp -R MODULE_HSOLVER_pw --output-on-failure
  • OMP_NUM_THREADS=4 ./build-ppcg-openmp/source/source_hsolver/test/MODULE_HSOLVER_ppcg --gtest_also_run_disabled_tests --gtest_filter=DiagoPPCGBenchmarkTest.DISABLED_FullBenchmark --gtest_brief=1

@Silver-Moon-Over-Snow

Copy link
Copy Markdown
Author

Opened a new PR by mistake, I shall return to the PR #7580 and close this inappropriate PR.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

1 participant