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@Critsium-xy Critsium-xy commented Jan 9, 2026

I completely reworked diago_lapack in this PR. This makes it available to use lapack solver in MPI build, and makes it possible to run K-point parallism using lapack solver.

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Critsium-xy commented Jan 9, 2026

Segment fault spotted in this PR. I'm trying to fix it

@Critsium-xy Critsium-xy changed the title [Refactor] Change dsygv_ and zhegv_ to dsygvx_ nad zhegvx_ in diago_lapack.cpp [Refactor] Complete rework of diago_lapack Jan 9, 2026
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Critsium-xy commented Jan 9, 2026

By the way, the serial version of abacus is highly probably not useable (not because of this solver's problem). So you may need to run in using mpirun -np 1 or k-parallism

@Critsium-xy Critsium-xy marked this pull request as ready for review January 9, 2026 11:32
@mohanchen mohanchen self-requested a review January 9, 2026 11:49
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