[Wien] Error in Parallel LAPW1

[Hanning Chen]

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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