dsyev failed in CompactMatrixEigensystem

asked by Michael L. Baker (2026/03/12 12:03)

Dear Maurits,

For larger RIXS calculations I encounter the following error within ResonantSpectra using Dense Methods:

Intel MKL ERROR: Parameter 8 was incorrect on entry to DSYEV. dsyev failed in CompactMatrixEigensystem with info value -8 While working on matrix Coulomb Operator continue diagonalization with dsyvd

This error is observed when running calculations on version 0.81 and 0.7. In all cases the calculation continues, but the resulting .spec outfile is filled with NaN in place of intensities. The specific “Parameter” refereed to in the error message varies.

Any suggestions to overcome these errors would be really appreciated.

Many thanks

Best regards, Mike

Answers

, 2026/03/12 12:27

Dear Mike,

Did you compile the code by yourself or do you use the pre-compiled binaries? Can you sent me an example so that I can reproduce the bug?

Thanks, Maurits

, 2026/03/12 13:18

Hi Maurits,

I am using pre-compiled binaries for linux. I will send you an example by email.

Best regards, Mike

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