<div dir="auto"><div>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. </div><div dir="auto"><br></div><div dir="auto">Modules are not a Wien2k issue, you will have to see what versions you have available, and maybe ask your sysadmin.</div><div dir="auto"><br></div><div dir="auto">It is a warning, lapw1 should still have run.</div><div dir="auto"><br><div data-smartmail="gmail_signature" dir="auto">---<br>Professor Laurence Marks (Laurie)<br>Department of Materials Science and Engineering<br>Northwestern University<br><a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a><br>"Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Györgyi</div><br><div class="gmail_quote" dir="auto"><div dir="ltr" class="gmail_attr">On Wed, Jun 28, 2023, 16:06 Ilias Miroslav, doc. RNDr., PhD. <<a href="mailto:miroslav.ilias@umb.sk">miroslav.ilias@umb.sk</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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Hello,</div>
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with parallel wien2k - here lapw1 - I am getting the warning below. At that machine, we are using spack modules,
<a href="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/" id="m_-5409439312526286620LPNoLPOWALinkPreview" target="_blank" rel="noreferrer">
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/</a> , both openmpi and elpa are loaded...<br>
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The logfile <a href="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" id="m_-5409439312526286620LPNoLPOWALinkPreview_1" target="_blank" rel="noreferrer">
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</a>
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Maybe some ill interactions between modules ?<br>
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<span style="font-family:monospace"><span style="color:rgb(0,0,0);background-color:rgb(255,255,255)">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 </span><br>
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<span style="font-family:monospace">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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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<br>
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<span style="font-family:monospace"><span style="color:rgb(0,0,0);background-color:rgb(255,255,255)">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 </span><br>
within ELPA will be limited to 1 <br>
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
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within ELPA will be limited to 1<br>
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