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@Cstandardlib Cstandardlib commented Jan 15, 2026

Linked Issue

Fix #6850 #6563

What's changed?

  • The error was caused by passing a host pointer to a device function matrix_mul_vector_op.
  • CPU vector eigenvalue_iter->data() on the host is replaced with the device copy e_temp_hd in the call.

@Cstandardlib Cstandardlib added Bugs Bugs that only solvable with sufficient knowledge of DFT GPU & DCU & HPC GPU and DCU and HPC related any issues Diago Issues related to diagonalizaiton methods labels Jan 15, 2026
@mohanchen mohanchen merged commit 880cd2f into deepmodeling:develop Jan 15, 2026
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Bugs Bugs that only solvable with sufficient knowledge of DFT Diago Issues related to diagonalizaiton methods GPU & DCU & HPC GPU and DCU and HPC related any issues

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Davidson subspace diagonalization method crashes at basically any CUDA GPU

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