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Fix #5707

What's changed?

  • Pop warning and quit if ELPA_Solver::generalized_eigenvector fails when decomposeRightMatrix returns non-zero return info.

@mohanchen mohanchen added Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes labels Mar 19, 2025
@mohanchen mohanchen merged commit 06df0ee into deepmodeling:develop Mar 19, 2025
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@Cstandardlib Cstandardlib deleted the fix/genelpa-warning-matrix-notPD branch March 19, 2025 03:01
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
…6022)

* Remove my_math.hpp

* Add warning quit for failed decomposeRightMatrix in genelpa

* Remove blas.h in genelpa
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Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes

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ABACUS LCAO calculation with genelpa: pop warning information when the overlap matrix is not positive-definite

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