* Installation [#vf44d4b7] Here how to compile Quantum-ESPRESSO 6.3 on smith@Morikawa Group, Osaka University. See the [[new page>QE_tutorial/install_smith_new_6.6]] for the compilation of Quantum-ESPRESSO 6.6 on the new environment (as of Oct. 2020). 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 [#ka3fe950] 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 generated. One can also do $ wget https://gitlab.com/QEF/q-e/-/archive/qe-6.3/q-e-qe-6.3.tar.bz2 and untar $ tar jxf q-e-qe-6.3.tar.bz2 $ mv q-e-qe-6.3 qe-6.3 ** Configure and build [#ed2667f7] In qe-6.3, execute the following $ MPIF90=mpiifort DFLAGS='-D__OPENMP -D__FFTW3 -D__MPI -D__SCALAPACK' FFT_LIBS=-lfftw3 SCALAPACK_LIBS='-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64' ./configure --enable-openmp The following option may be added to FFLAGS* in "make.inc" -xSSE4.2 -axCOMMON-AVX512,CORE-AVX512,CORE-AVX2,CORE-AVX-I,AVX 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 In the case of SternheimerGW type $ make SternheimerGW To install the latest version of the yambo, I did the following (there may be smarter way though...) Download the yambo tarball in the top directory of QE as $ wget https://github.com/yambo-code/yambo/archive/4.4.0.tar.gz and expand it $ tar zxvf 4.4.0.tar.gz then make a symbolic link as $ ln -s yambo-4.4.0 YAMBO and type $ make yambo