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libxc 5 not supported by elk 8.826

2023-06-10
2023-06-13
  • marcindulak

    marcindulak - 2023-06-10

    When building elk 8.8.26 on epel9
    https://koji.fedoraproject.org/koji/taskinfo?taskID=101973812, the tests-libxc show an error:

    cd tests-libxc; ../tests/test-mpi.sh
    Running test in directory test_001...
     Failed! See test.log and output files
    +---------------------------------+
    | Elk code version 8.8.26 started |
    +---------------------------------+
    Number of MPI processes :      1
    Number of OpenMP threads per MPI process :    2
    Total number of threads (MPI x OpenMP) :      2
    Maximum OpenMP nesting level :    4
    Number of OpenMP threads at first nesting level :    2
    Number of MKL threads :    2
    RAM disk enabled
    +-----------------------+
    | Current task :      0 |
    +-----------------------+
    Error(xcdata_libxc): incompatible Libxc version : 05.002.002
    
     
  • J. K. Dewhurst

    J. K. Dewhurst - 2023-06-13

    Hi Marcin,

    Elk requires Libxc version 6.

    Regards,
    Kay.

     

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