#author("2024-10-29T19:15:37+09:00","default:StatE","StatE") * Installation [#g1a64ede] Here how to build Quantum-ESPRESSO 7.3.1 on SQUID at Cybermedia Center, Osaka University. First of all, make sure that the modules are loaded properly. In this tutorial, the following modules are used: BaseCPU/2023 To load the above modules, type the following and/or add the following in ${HOME}/.bashrc: module load BaseCPU/2024 module load BasePy/2024 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 [#a6527c84] In the ${HOME}/QE/src directory, type $ git clone -b 'qe-7.3.1' --depth 1 https://gitlab.com/QEF/q-e.git qe-7.3.1 One can also do $ wget https://gitlab.com/QEF/q-e/-/archive/qe-7.3.1/q-e-qe-7.3.1.tar.gz and untar $ gzip -dc q-e-qe-7.3.1.tar.gz | tar xf $ ln -s q-e-qe-7.3.1 qe-7.3.1 ** Configure and build [#lfa62681] *** QE [#dd48b21e] In qe-7.3.1, 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