#author("2023-05-24T15:46:28+09:00","default:StatE","StatE") * Installation [#lb49dad0] Here how to compile Quantum-ESPRESSO 6.6 on sb100@Morikawa Group, Osaka University. First of all, make sure that the modules are loaded properly. In this tutorial, the following modules are used: - intel/2021.2.0 - intelmpi/2021.2.0 To load the above modules, add the following in ${HOME}/.bashrc: module load intel/2021.2.0 module load intelmpi/2021.2.0 Let us first make directories for source codes, pseudopotentials, and calculations for Quantum-ESPRESSO in the home directory, for e.g. $ mkdir -p QE/src $ mkdir -p QE/pseudo $ mkdir -p QE/out ** Obtaining the code [#o5d215d3] n the ${HOME}/QE/src directory, type $ wget https://gitlab.com/QEF/q-e/-/archive/qe-7.2/q-e-qe-7.2.tar.bz2 and untar the archive as $ tar bxf q-e-qe-7.2.tar.bz2 NOTE: for the latest version of QE, I decided not to use the git version of the source code, instead of the tar ball. ** Configure and build [#qc27ec56] In q-e-qe-7.2, execute the following $ ./configure MPIF90=mpiifort --enable-openmp --with-scalapack=intel Then type $ make pw Other programs can be found by just typing $ make I usually build PW as well as PP by typing $ make pw pp If you like to perform phonon calculations do $ make ph