[Wien] system- or usererror?

[Michael Frotscher]

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Hello, Wien-ML

I think I got WIEN compiled successfully now, but still run into problems. I'm 
not sure whether WIEN is still not compiled error-free or whether it's an 
user error by me.
I try to calculate the sample-TiC-calculation as instructed in the manual. 
Everything looks good, but the scf-run fails.
When doing the run interactively, I get:
in cycle 12    ETEST: .0359855000000000   CTEST: .0027511
FORTRAN STOP  LAPW0 END
FORTRAN STOP SECLR4 - Error

and the file "lapw1.error" reads:
 Cholesky INFO =           72
 'SECLR4' - POTRF (Scalapack/LAPACK) failed.

What could it be?

Sincerely,
- -- 
Michael Frotscher
Institut für Anorganische und Angewandte Chemie
Universität Hamburg

 
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