This is the user forum of the DFT FLAPW code FLEUR.
It is meant to be used as a place to asks questions to other users and the developers, to provide feedback and suggestions.
The documentation of the code can be found at the FLEUR homepage.
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mredies
Posts: 11 | Last online: 12.13.2021
Name
Matthias Redies
Date registered
04.07.2021
Sex
male
    • mredies has written a new post "FLEUR on JURECA-GPU" 06.25.2021

      If you want ELPA you can do it with:

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      FC=mpif90 CC=mpicc ./configure.sh -link "-lelpa_openmp"  -libdir /p/project/cjias1d/redies1/elpa-2021.05.001/install/lib -includedir /p/project/cjias1d/redies1/elpa-2021.05.001/install/include/elpa_openmp-2021.05.001/modules/ -gpu acc:cc80 -hdf5 TRUE
       
       



      while you can build ELPA with:

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      ../configure FC=mpif90 CC=mpicc  FCFLAGS=" -O1 " CFLAGS="-fPIC" --enable-openmp --enable-shared=no --disable-avx512 --prefix=$PWD/../install
       

    • mredies has written a new post "FLEUR on JURECA-GPU" 06.16.2021

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      ml use $OTHERSTAGES
      ml Stages/Devel-2020
      ml NVHPC
      ml ParaStationMPI
      ml ScaLAPACK
      ml CMake
       
      FC=mpif90 CC=mpicc ./configure.sh -gpu acc:cc80 -hdf5 TRUE
       

    • mredies has written a new post "1 " 06.16.2021

      5

    • mredies has written a new post "1 " 06.16.2021

      4

    • mredies has written a new post "1 " 06.16.2021

      3

    • mredies has created the topic "1 ". 06.16.2021

    • mredies has created the topic "FLEUR on JURECA-GPU". 06.16.2021

    • mredies has created the topic "Test thread". 04.07.2021

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