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
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