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=== Warning at line 1414 of file /tmp/software/spack-stage/spack-stage-sirius-7.3.0-ldk6trlgtprduyaw5ehxalinioahtrlq/spack-src/src/linalg/eigenproblem.hpp ===
pzhegvx returned 2
=== Warning at line 1405 of file /tmp/software/spack-stage/spack-stage-sirius-7.3.0-ldk6trlgtprduyaw5ehxalinioahtrlq/spack-src/src/linalg/eigenproblem.hpp ===
eigenvectors corresponding to one or more clusters of eigenvalues
could not be reorthogonalized because of insufficient workspace
number of eigenvalue clusters : 1
17 : 20
=== Warning at line 1414 of file /tmp/software/spack-stage/spack-stage-sirius-7.3.0-ldk6trlgtprduyaw5ehxalinioahtrlq/spack-src/src/linalg/eigenproblem.hpp ===
pzhegvx returned 2
SIRIUS: run-time error
... it works with both lapack and elpa2.
The text was updated successfully, but these errors were encountered:
Given the following input for SIRIUS (via CP2K):
I end up with this error:
... it works with both
lapack
andelpa2
.The text was updated successfully, but these errors were encountered: