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add 01_PW to GPU CI test suite - #7690

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mohanchen merged 4 commits into
deepmodeling:developfrom
chengleizheng:feature/cicd-gpu-improve
Jul 29, 2026
Merged

add 01_PW to GPU CI test suite#7690
mohanchen merged 4 commits into
deepmodeling:developfrom
chengleizheng:feature/cicd-gpu-improve

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@chengleizheng

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Reminder

  • I have read AGENTS.md and docs/developers_guide/agent_governance.md.
  • I have linked an issue or explained why this PR does not need one.
  • I have added adequate unit tests and/or case tests, or explained why not.
  • I have listed the exact verification commands run and their results.
  • I have described user-visible behavior changes, including INPUT parameter changes.
  • I have explained core-module impact for ESolver, HSolver, ElecState, Hamilt, Operator, Psi, or other source/ changes.
  • I have requested any needed governance exception below.

Linked Issue

No linked issue — this is a CI-only change adding GPU test coverage for the existing 01_PW test suite.

Unit Tests and/or Case Tests for my changes

  • Commands run:
    cd tests/01_PW
    find . -name INPUT | while read f; do
        if grep -q "^device" "$f"; then
            sed -i 's/^device.*/device    gpu/' "$f"
        else
            echo "device    gpu" >> "$f"
        fi
    done
    bash .. /integrate/Autotest.sh -n 1 -a abacus -f CASES_GPU.txt
    
  • Result summary: 89 cases pass on GPU (RTX 4060 Laptop), 17 excluded due to pre-existing GPU bugs (BLPS/LPS/Coulomb/PBE0 CUDA errors, KPAR config errors, segfaults, timeouts)

What's changed?

Added 01_PW to GPU CI by reusing existing CPU test cases — just swaps device=gpu via sed instead of duplicating test files. New CASES_GPU.txt lists the 89 GPU-compatible cases.

Governance Notes

  • INPUT/docs changes: None
  • Core module impact: None (CI configuration only)
  • Exceptions requested: None

@chengleizheng chengleizheng added Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS GPU & DCU & HPC GPU and DCU and HPC related any issues labels Jul 25, 2026
@mohanchen

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Thanks for completing the GPU tests for pw basis!

@mohanchen
mohanchen merged commit 4b6ce1c into deepmodeling:develop Jul 29, 2026
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