[Wien] Error in Parallel LAPW1

[Laurence Marks]

Without knowing how you compiled it is hard to be certain. The output
indicates a problem in PDSYEVX (looking in the relevant program, seclr4.F.
>From a google search of the code, a "-N" indicates an error in the "N"
argument, which appears to be DESCZ. This suggests that you may have linked
to an inappropriate version of the scalapack libraries. However, this is
just a guess and may be wrong, the problem being elsewhere.

N.B., your .machines file is odd, both because normally one has multiple
cores on a node and because you have not specified the omp_??? variables
which are needed for version 19.1.

On Mon, Nov 25, 2019 at 12:11 PM Hanning Chen <hchen at american.edu> wrote:

> Dear WIEN2K developers and users,
>
>
>
>   I am running the latest WIEN2K_19.1 on a Linux machine with Intel
> 19.0.1.144 compiler set and MKL math libraries.
>
>
>
>   I ran a test on a water molecule, and it passed the serial execution.
>
>
>
>   However, when I ran it in parallel on two nodes with the following
> .machines file:
>
>
>
>               granularity:1
>
>              lapw0: machine1 machine2
>
>               1:machine1 machine2
>
>               Extrafine:1
>
>
>
>    It crashed with error messages in file “lapw1.error” as
>
>
>
>               **.   Error in Parallel LAPW1’
>
>               **.   LAPW1 STOPPED
>
>               **.   Check ERROR FILES!
>
>                 SEP INFOR = -21
>
>                 ‘SECLR4’ -  SYEVX (Scalapack/LAPACK) failed.
>
>                 ‘Unknow’  - Process termination signal received.
>
>
>
>    Can you please help me fix this problem on the parallel version of
> lapw1?
>
>
>
>   Thanks.
>
>
>
> Hanning Chen, Ph.D.
>
> Department of Chemistry
>
> American University
>
> Washington, DC 20016
>
>
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: www.numis.northwestern.edu/MURI
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
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