Compilation and Installation

Procedure

1. Use PuTTY to log in to the server as the root user.
2. Run the following command to decompress the Octopus package:

   tar -xvf octopus-10.3.tar.gz

3. Run the following command to go to the directory generated after decompression:

   cd octopus-10.3

4. Run the following command to perform the configuration:

   ./configure CC=mpicc CFLAGS='-O3 -march=armv8.2-a -mtune=tsv110' FC=mpifort FCFLAGS='-O3 -march=armv8.2-a -mtune=tsv110' LIBS='-Wl,-rpath=/path/to/KPGCC/gcc-9.3.1-2020.12-aarch64-linux/lib64/libhpc -L/path/to/KPGCC/gcc-9.3.1-2020.12-aarch64-linux/lib64/libhpc -lmathlib -lm' --enable-mpi --prefix=/path/to/OCTOPUS --with-gsl-prefix=/path/to/GSL/gsl --with-libxc-prefix=/path/to/LIBXC/libxc434 --with-fftw-prefix=/path/to/FFTW

5. Run the following commands to perform the compilation and installation:

   make -j 32
   make install

6. Run the following command to configure the environment variables:

   export PATH=/path/to/OCTOPUS/bin:$PATH