Feat(psi): add PsiStorageMode and device_memory_mode for GPU with PW base - #7746
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dyzheng wants to merge 4 commits into
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Feat(psi): add PsiStorageMode and device_memory_mode for GPU with PW base#7746dyzheng wants to merge 4 commits into
dyzheng wants to merge 4 commits into
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added 2 commits
August 1, 2026 21:43
…paging
- Add PsiStorageMode enum (ALL_GPU, ALL_CPU, PAGED_GPU) to psi namespace
- Add paging interface: load_k_to_gpu, store_k_from_gpu, ensure_k_on_gpu
- Modify resize() to allocate CPU storage + single-k GPU buffer in PAGED_GPU mode
- Create psi_paging.cpp with paging method implementations
- Add device_memory_mode INPUT parameter (''/full_gpu/paged)
- Add device_memory_mode reading in read_input_item_system.cpp
…aths - hsolver_pw.cpp: load_k_to_gpu/store_k_from_gpu around k-point solve loop Skip k-parent propagation in PAGED_GPU mode - psi_prepare.cpp: PAGED_GPU memory handling in initialize_psi - setup_psi_pw.cpp: detect paging mode, log GPU memory mode, copy_d2h paging path - forces/stress onsite/nl/kin: ensure_k_on_gpu before k-point loops - onsite_proj.cpp: ensure_k_on_gpu in cal_occupations
mohanchen
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Bugs
added 2 commits
August 2, 2026 15:15
- Fix link errors: add psi_paging.cpp to 3 test CMakeLists.txt targets (MODULE_ESTATE_elecstate_base, MODULE_ESTATE_elecstate_pw, MODULE_IO_read_wfc_nao_test, MODULE_PSI_Unittests) - Fix SIGSEGV: use custom read_value for device_memory_mode to handle empty string (avoid str_values[0] out-of-bounds on empty value re-read) - Fix stack smashing: remove unused __CUDA/__ROCM guarded members (compute_stream_, transfer_stream_) from Psi class to eliminate ABI inconsistency between library and test TUs
…ain.md CI check-documentation step requires docs/parameters.yaml to match the output of --generate-parameters-yaml. The PR added device_memory_mode Input_Item but docs were not updated.
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AGENTS.mdanddocs/developers_guide/agent_governance.md.source/changes.Linked Issue
Fix #7727
Unit Tests and/or Case Tests for my changes
What's changed?
Governance Notes