[Wien] 'SECLR4' - POTRF error (again)

[Laurence Marks]

I had something similar recently, and moved from mkl version 8.0.1 to
version 8.1 and it seems to have gone away. I think it is probably due
to rounding errors and sometimes just changing the case.in1 will
eliminate it. (If you have an illegal case.in1, for instance with
duplicate lo's I think it can also occur.)

On 10/6/06, Roberto Iglesias <roberto.iglesias at psi.ch> wrote:
> The uplapw1.err file looks like:
>
> **  Error in Parallel LAPW1
> **  LAPW1 STOPPED at Fri Oct 6 09:23:58 CEST 2006
> **  check ERROR FILES!
>   Cholesky INFO =          4985
>   'SECLR4' - POTRF (Scalapack/LAPACK) failed.
>   Cholesky INFO =          4997
>   'SECLR4' - POTRF (Scalapack/LAPACK) failed.
>   Cholesky INFO =          4999
>   'SECLR4' - POTRF (Scalapack/LAPACK) failed.
>
> --
> ------------------------------------------
> Roberto Iglesias
> High Temperature Materials Project
> Laboratory for Materials Behaviour
> Nuclear Energy and Safety Department
> OHLD/013
> PAUL SCHERRER INSTITUT
> CH-5232 Villigen PSI
> phone: +41 (0)56 310 54 81
> fax:   +41 (0)56 310 35 65
> e-mail: roberto.iglesias at psi.ch
> Internet: www.psi.ch
> -----------------------------------------
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-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
http://www.numis.northwestern.edu