* Installation [#bc49caf9] Here how to compile Quantum-ESPRESSO 6.3 on Mac using gcc and openmpi (I assume they are installed). * Installation [#b42f567c] How to build Quantum-ESPRESSO on mac using gfortran. Let us first make directories for source codes, pseudopotentials, and calculations for Quantum-ESPRESSO in the home directory, for e.g. - Version [[6.1 >QE_tutorial/install_mac_6.1]] - Version [[6.8 >QE_tutorial/install_mac_6.8]] $ mkdir -p QE/src $ mkdir -p QE/pseudo $ mkdir -p QE/out ** Obtaining the code [#h4286120] In the ${HOME}/QE/src directory, type $ git clone -b 'qe-6.3' --depth 1 https://gitlab.com/QEF/q-e.git qe-6.3 If "qe-6.3" is not specified, "q-e" is genearted. ** Configure and build [#n0b015a3] go to the QE directory $ cd qe-6.3 and type $ "DFLAGS= -D__FFTW -D__MPI" ./configure To build pw.x 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 Programs build can be found in the "bin/" directory.~ It may be useful to set paths to the utilities by setting, e.g., in ~/.bashrc ${PATH}=${PATH}:${HOME}/QE/src/qe-6.3/bin:${HOME}/QE/src/qe-6.3/PW/tools ** Running PW examples [#id965ae4] Go to PW/examples, read the README file to pick up the example of your interest. For instance, go to "example01" and type $ ./run_example then a set of PW calculations on Si, Al, and Ni will be executed.