Compilation and Installation
Procedure
- Use PuTTY to log in to the server as the root user.
- Go to the Wannier90 installation package directory.
cd /path/to/WANNIER90
- Decompress the Wannier90 installation package.
tar -xvf wannier90-3.1.0.tar.gz
- Go to the directory generated after the decompression.
cd wannier90-3.1.0
- Build Wannier90.
cp ./config/make.inc.gfort ./make.inc
- Modify the make.inc file.
- Open the make.inc file.
vi make.inc
- 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
- Modify line 4 as follows:
- Press Esc, type :wq!, and press Enter to save the file and exit.
- Open the make.inc file.
- 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.
Parent topic: Wannier90 3.1.0 Porting Guide (openEuler 21.03)