* Installation [#e9ebc310] Below how to build CP2K on ohtaka at ISSP, The University of Tokyo. In this tutorial, I assume that we are going to use CP2K version 8.2.0. Change the file name(s) according to the version you are going to use. ** Environment [#kbeacc16] In this tutorial, we are going to use the following modules: load intel_mpi/2019.5.281 load intel_compiler/2019.5.281 load intel_mkl/2019.5.281 To make sure these modules are set, the following commands may be added in ~/.bashrc or ~/.bash_profile. module purge module load intel_mpi/2019.5.281 module load intel_compiler/2019.5.281 module load intel_mkl/2019.5.281 ** Prep [#zc451e6d] Let us assume we are going to build the CP2K code in the following location: ~/CP2K/src and in the home directory, make the directory as mkdir -p CP2K/src and go to CP2K/src. ** Download [#x566d800] In the source directory, execute the following: git clone -b support/v8.2 https://github.com/cp2k/cp2k.git cp2k-8.2 and go to the cp2k directory cd cd cp2k-8.2 ** Compile [#m07073ef] Change directory to tools/toochain and execute ./install_cp2k_toolchain.sh Type ./install_cp2k_toolchain.sh --help to see available options.