* Installation [#qb9d1090] Here how to compile yambo with pw.x of Quantum-ESPRESSO (version 6.6) on SQUID at Cybermedia Center, Osaka University (see the [[link>QE_tutorial/install_squid_6.7]] to install pw.x without yambo). First of all, make sure that the modules are loaded properly. In this tutorial, the following modules are used: BaseCPU/2021 To load the above modules, add the following in ${HOME}/.bashrc: module load BaseCPU/2021 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 [#sde50a00] In the ${HOME}/QE/src directory, type $ git clone -b 'qe-6.6' --depth 1 https://gitlab.com/QEF/q-e.git qe-6.6 If "qe-6.6" is not specified, "q-e" is generated. One can also do $ wget https://gitlab.com/QEF/q-e/-/archive/qe-6.6/q-e-qe-6.6.tar.bz2 and untar $ tar jxf q-e-qe-6.6.tar.bz2 $ mv q-e-qe-6.6 qe-6.6 ** Configure and build [#dee09d75] *** pw.x [#m8e804b8] In qe-6.6, execute the following $ MPIF90=mpiifort \ DFLAGS='-D__OPENMP -D__FFTW3 -D__MPI -D__SCALAPACK' \ FFT_LIBS='-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm' \ LAPACK_LIBS='-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm' \ BLAS_LIBS='-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm' \ SCALAPACK_LIBS='-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lmkl_core -liomp5 -lpthread -lm' \ BLACS_LIBS='-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lmkl_core -liomp5 -lpthread -lm' \ ./configure --enable-openmp Then type $ make pw *** Yambo [#c792c453] According to the makefile $ make yambo The yambo, ypp, p2y commands may be installed in the YAMBO/bin directory.