[Wien] WARNING elpa_setup during lapw1_mpi

[Ilias Miroslav, doc. RNDr., PhD.]

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


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20230628/e12f6b27/attachment.htm>