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Compilation and Installation

Procedure

  1. Use PuTTY to log in to the server as the root user.
  2. Go to the Wannier90 installation package directory.
    cd /path/to/WANNIER90
  3. Decompress the Wannier90 installation package.
    tar -xvf wannier90-3.1.0.tar.gz
  4. Go to the directory generated after the decompression.
    cd wannier90-3.1.0
  5. Build Wannier90.
    cp ./config/make.inc.gfort ./make.inc
  6. Modify the make.inc file.
    1. Open the make.inc file.
      vi make.inc
    2. Press i to enter the edit mode and modify the file as follows:
      • Modify line 4 as follows:
        F90=flang
      • Uncomment lines 7 and 8, and modify line 8 as follows:
        MPIF90 = mpif90
      • Uncomment line 21 and modify it as follows:
        LIBDIR=/path/to/OPENBLAS/lib
      • Modify line 37 as follows:
        LIBS = -L$(LIBDIR) -lopenblas

        After performing 6.a, press Esc, type :set nu, and press Enter to display the line number.

    3. Press Esc, type :wq!, and press Enter to save the file and exit.
  7. Compile and install Wannier90.
    make
    make install

    After the compilation and installation are complete, two executable files postw90.x and wannier90.x are generated in the wannier90-3.1.0 directory.