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Fix: Fix Compile Error on CUDA Version >= 12.9 #6337
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Merged
mohanchen
merged 121 commits into
deepmodeling:develop
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Flying-dragon-boxing:develop
Jun 26, 2025
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69ad6a7
feat pexsi
zhangzh-pku 3c57992
fix : diag not completed
zhangzh-pku 7326a00
Merge branch 'deepmodeling:develop' into develop
zhangzh-pku c3babb7
feat
zhangzh-pku 43d743d
feat: pexsi hsolver
zhangzh-pku 51e4df2
Merge branch 'deepmodeling:develop' into develop
zhangzh-pku ef1ff1a
CMake building implemented
Flying-dragon-boxing 48c03ab
Merge remote-tracking branch 'upstream/develop' into develop
Flying-dragon-boxing 2529afe
Works
Flying-dragon-boxing 09da6b1
adapt to the new container
Flying-dragon-boxing f52bd99
Turn off USE_PEXSI
Flying-dragon-boxing 682d19b
Update LibRI to 553c91c
Flying-dragon-boxing a5ea7e1
Merge remote-tracking branch into develop
Flying-dragon-boxing 90f600e
modify include files
Flying-dragon-boxing 3d8c366
namespace-ize
Flying-dragon-boxing 8075b14
new inputs added
Flying-dragon-boxing 1e428d2
Configure Makefile Compiling, fix typos
Flying-dragon-boxing 1264b64
Fix Makefile Intel toolchains compile errors
Flying-dragon-boxing a694146
Fix even more PEXSI related Makefile compiling issues
Flying-dragon-boxing 4c4bd76
Merge remote-tracking branch 'upstream/develop' into modify_inputs
Flying-dragon-boxing cd3a028
Modify inputs and update to latest version (#2)
Flying-dragon-boxing 6aa019c
Revert "Modify inputs and update to latest version"
Flying-dragon-boxing 7561bfa
Merge pull request #3 from Flying-dragon-boxing/revert-2-modify_inputs
Flying-dragon-boxing 3202786
Merge pull request #4 from Flying-dragon-boxing/modify_inputs
Flying-dragon-boxing c4c5272
Update FindPEXSI.cmake to fix Comments
Flying-dragon-boxing f3e18a4
Fix CI errors
Flying-dragon-boxing 4d16f56
Fix CI Errors and Merge with Upstream
Flying-dragon-boxing 86217fd
Merge branch 'develop' into develop
Flying-dragon-boxing 4857553
Resolve Pull Request Reviews
Flying-dragon-boxing 89ff055
Merge branch 'develop' into develop
Flying-dragon-boxing 494c661
Merge remote-tracking branch 'origin/develop' into develop
Flying-dragon-boxing 70d68d9
Fix parallel communication related issue
Flying-dragon-boxing c0066fe
Merge branch 'develop' into develop
Flying-dragon-boxing 5b4a6cf
Fix vars in Makefile.vars, add input tests and comments for pexsi vars
Flying-dragon-boxing 43ca04b
Merge branch 'develop' into develop
Flying-dragon-boxing 493f713
Fix nspin > 1 cases
Flying-dragon-boxing c7efb18
Merge remote-tracking branch 'origin/develop' into develop
Flying-dragon-boxing 7f4e526
Merge branch 'develop' into develop
Flying-dragon-boxing 26685cd
Improvement: take calculated mu as new initial guess, may slightly im…
Flying-dragon-boxing 2cf6773
Fix mistakes in the last commit
Flying-dragon-boxing 7298c41
Fix: params and features
Flying-dragon-boxing 9ee7aec
Merge branch 'develop' into develop
Flying-dragon-boxing ce18c08
fix empty lines
Flying-dragon-boxing c4d86a4
Fix: move params to pexsi_solver, rename USE_PEXSI to ENABLE_PEXSI
Flying-dragon-boxing 5b406b9
Merge branch 'develop' into develop
Flying-dragon-boxing b33a37b
Docs: added docs for pexsi inputs
Flying-dragon-boxing 8da04fc
Merge branch 'develop' into develop
Flying-dragon-boxing b5ad8af
Merge branch 'develop' into develop
Flying-dragon-boxing 0829198
Merge branch 'develop' into develop
Flying-dragon-boxing 94ff925
Fix unit test issues in input_conv
Flying-dragon-boxing 11f0a12
Change default pexsi_npole from 80 to 40
Flying-dragon-boxing fd19b2c
Place pexsi_EDM in DensityMatrix, set size of pexsi_dm = 1 when Globa…
Flying-dragon-boxing aec57c0
An unit test added for DiagoPexsi
Flying-dragon-boxing a4efc59
Merge branch 'develop' into develop
mohanchen 2167ba5
Merge branch 'develop' into develop
Flying-dragon-boxing 70f9a54
modify for changed gint interface
Flying-dragon-boxing 5a891f7
correct nspin related behaviors
Flying-dragon-boxing d7b402d
add efermi passthrough
Flying-dragon-boxing 76774f6
Revert "add efermi passthrough"
Flying-dragon-boxing 9f8532a
Merge branch 'develop' into resolve_conflict
Flying-dragon-boxing 9e8c724
commits to resolve conversations related to codes
Flying-dragon-boxing 569269b
DM and EDM pointers in pexsi now handled by diagopexsi, and copying h…
Flying-dragon-boxing f8352cb
add pexsi examples
Flying-dragon-boxing b0ef9ad
fix pexsi unit test (original version shouldn't run)
Flying-dragon-boxing 5b53d6f
add building docs for pexsi
Flying-dragon-boxing 3e5fea8
Merge branch 'develop' into resolve_conflict
Flying-dragon-boxing 69b774a
Merge branch 'develop' into resolve_conflict
Flying-dragon-boxing 110e5b0
set cxx standard to c++14, which is required in make_unique
Flying-dragon-boxing 1ced552
Merge branch 'develop' into resolve_conflict
Flying-dragon-boxing e874a84
Merge branch 'develop' into resolve_conflict
Flying-dragon-boxing 696d01c
Merge branch 'develop' into resolve_conflict
mohanchen 04db1c1
Merge branch 'develop' into resolve_conflict
WHUweiqingzhou 29f1efc
Merge branch 'develop' into resolve_conflict
mohanchen 2a0b367
Merge pull request #12 from deepmodeling/develop
Flying-dragon-boxing a832159
Merge pull request #13 from Flying-dragon-boxing/resolve_conflict
Flying-dragon-boxing d1b62c4
Merge pull request #15 from deepmodeling/develop
Flying-dragon-boxing 20cb2ae
Fix: Fix typo related to pexsi
Flying-dragon-boxing 5308568
update to PPEXSIDFTDriver2
Flying-dragon-boxing 8d75717
default npoints to 1, so single core pexsi will work
Flying-dragon-boxing dc367da
Merge pull request #16 from deepmodeling/develop
Flying-dragon-boxing c8b7221
Fix Compile errors
Flying-dragon-boxing aa6dc7d
refactor to abandon `pdiagh`
Flying-dragon-boxing 7ee641a
Merge branch 'develop' into develop
Flying-dragon-boxing a05f3a6
Fix mu_buffer and nspin
Flying-dragon-boxing b92e6c5
Merge branch 'develop' into develop
Flying-dragon-boxing 998b19f
Updates with latest
Flying-dragon-boxing bd474b2
Merge branch 'develop' of https://github.com/deepmodeling/abacus-deve…
Flying-dragon-boxing fb8b16f
Merge remote-tracking branch 'upstream/develop' into develop
Flying-dragon-boxing 9dc2a36
Refactor: in ESolver_KS_PW, calculate deband in iter_finish, not in h…
Flying-dragon-boxing 3fd4dc6
Fix: make files in consistent with upstream
Flying-dragon-boxing a9e9ecd
Merge
Flying-dragon-boxing 89f2cc1
Refactor
Flying-dragon-boxing f48ea9b
Refactor
Flying-dragon-boxing ae10873
Refactor
Flying-dragon-boxing 88eec25
Merge branch 'develop' into develop
Flying-dragon-boxing d060712
Refactor
Flying-dragon-boxing bb55801
Refactor
Flying-dragon-boxing d5183d8
Refactor: fix unit test
Flying-dragon-boxing 23ed59a
Refactor: fix unit test
Flying-dragon-boxing a80ec81
Refactor: fix unit test
Flying-dragon-boxing 7756c96
Refactor: fix unit test
Flying-dragon-boxing 009964b
Merge branch 'develop' into develop
Flying-dragon-boxing 4737f8a
Refactor: Remove set kvec funcs in `K_Vectors`
Flying-dragon-boxing bcd549f
Refactor: Remove final_scf
Flying-dragon-boxing f5cd794
Refactor: Fix kvecc2d/d2c
Flying-dragon-boxing bf01b41
Merge branch 'develop' into develop
Flying-dragon-boxing ce796a9
Fix: Tests
Flying-dragon-boxing 98f4c07
Fix: Tests
Flying-dragon-boxing 8a41e6e
Merge branch 'develop' into develop
Flying-dragon-boxing 8493b5e
Fix: Tests
Flying-dragon-boxing 5f8f70e
Fix: Tests
Flying-dragon-boxing e3dc6ca
Refactor: Final?
Flying-dragon-boxing c6353ef
Fix
Flying-dragon-boxing 2ef53b7
Fix
Flying-dragon-boxing a22d396
Fix
Flying-dragon-boxing 0afd3e1
Fix
Flying-dragon-boxing c2aa114
Merge branch 'develop' into develop
Flying-dragon-boxing 17e82b8
Merge branch 'develop' into develop
Flying-dragon-boxing 95593c4
Merge
Flying-dragon-boxing 36d7f7e
Fix: Compile Error on CUDA > 12.9
Flying-dragon-boxing 964d4b6
Fix: Compile Error on CUDA > 12.9
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Should be >= 12.9, not >
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You're right. The title here is wrong, but the code here is correct. I'll fix this.