[Wien] WARNING elpa_setup during lapw1_mpi

[Laurence Marks]

The message states the issue. You are requesting both mpi & omp in lapw1
but either or both your openmpi and elpa have not been compiled for this.

Modules are not a Wien2k issue, you will have to see what versions you have
available, and maybe ask your sysadmin.

It is a warning, lapw1 should still have run.

---
Professor Laurence Marks (Laurie)
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what nobody
else has thought" Albert Szent-Györgyi

On Wed, Jun 28, 2023, 16:06 Ilias Miroslav, doc. RNDr., PhD. <
miroslav.ilias at umb.sk> wrote:

>
> Hello,
>
> with parallel wien2k - here lapw1 - I am getting the warning below. At
> that machine, we are using spack modules,
> https://github.com/miroi/open-collection/blob/master/theoretical_chemistry/software/wien2k/runs/LvO2_on_small_quartz/wien2k/LvO2onQg/lxir127_bash_wien2k_gnu_openmpi_openblas.01/
> , both openmpi and elpa are loaded...
>
> The logfile
> https://github.com/miroi/open-collection/blob/master/theoretical_chemistry/software/wien2k/runs/LvO2_on_small_quartz/wien2k/LvO2onQg/lxir127_bash_wien2k_gnu_openmpi_openblas.01_logfile_unfinished
>
>
> Maybe some ill interactions between modules ?
>
> milias   18493 14653  0 22:56 pts/0    00:00:00 /bin/tcsh -f
> /data.local1/milias/software/wien2k/WIEN2k_23.2/gnu_openmpi_openblas/x
> lapw1 -p -c
> milias   18515 18493  1 22:56 pts/0    00:00:00 /bin/tcsh -f
> /data.local1/milias/software/wien2k/WIEN2k_23.2/gnu_openmpi_openblas/lapw1cpara
> -c lapw1.def
> milias   18633 18515  0 22:56 pts/0    00:00:00 /bin/tcsh -f
> /data.local1/milias/software/wien2k/WIEN2k_23.2/gnu_openmpi_openblas/lapw1cpara
> -c lapw1.def
> milias   18636 18633  0 22:56 pts/0    00:00:00 mpirun -np 8 -machinefile
> .machine1
> /data.local1/milias/software/wien2k/WIEN2k_23.2/gnu_openmpi_openblas/lapw1c_mpi
> lapw1_1.def
> milias   18640 18636 99 22:56 pts/0    00:00:22
> /data.local1/milias/software/wien2k/WIEN2k_23.2/gnu_openmpi_openblas/lapw1c_mpi
> lapw1_1.def
> milias   18641 18636 99 22:56 pts/0    00:00:22
> /data.local1/milias/software/wien2k/WIEN2k_23.2/gnu_openmpi_openblas/lapw1c_mpi
> lapw1_1.def
> milias   18642 18636 99 22:56 pts/0    00:00:22
> /data.local1/milias/software/wien2k/WIEN2k_23.2/gnu_openmpi_openblas/lapw1c_mpi
> lapw1_1.def
> milias   18643 18636 99 22:56 pts/0    00:00:22
> /data.local1/milias/software/wien2k/WIEN2k_23.2/gnu_openmpi_openblas/lapw1c_mpi
> lapw1_1.def
> milias   18644 18636 99 22:56 pts/0    00:00:22
> /data.local1/milias/software/wien2k/WIEN2k_23.2/gnu_openmpi_openblas/lapw1c_mpi
> lapw1_1.def
> milias   18645 18636 99 22:56 pts/0    00:00:22
> /data.local1/milias/software/wien2k/WIEN2k_23.2/gnu_openmpi_openblas/lapw1c_mpi
> lapw1_1.def
> milias   18646 18636 99 22:56 pts/0    00:00:22
> /data.local1/milias/software/wien2k/WIEN2k_23.2/gnu_openmpi_openblas/lapw1c_mpi
> lapw1_1.def
> milias   18648 18636 99 22:56 pts/0    00:00:22
> /data.local1/milias/software/wien2k/WIEN2k_23.2/gnu_openmpi_openblas/lapw1c_mpi
> lapw1_1.def
>
>
> WARNING elpa_setup: MPI threading level MPI_THREAD_SERALIZED or
> MPI_THREAD_MULTIPLE required but your implementation does not support this!
> The number of OpenMP threads
> within ELPA will be limited to 1
> WARNING elpa_setup: MPI threading level MPI_THREAD_SERALIZED or
> MPI_THREAD_MULTIPLE required but your implementation does not support this!
> The number of OpenMP threads
> within ELPA will be limited to 1
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20230628/d107f9e4/attachment.htm>