Installation of Perturbo on Rocky Linux with Intel oneAPI
Following the instructions on Perturbo. Installation of hdf5 wget https://support.hdfgroup.org/releases/hdf5/v1_14/v1_14_5/downloads/hdf5-1.14.5.tar.gz tar xvf hdf5-1.14.5.tar.gz cd hdf5-1.14.5/ CC=mpicc CXX=mpiicx FC=mpiifx ./configure –prefix=/opt/hdf5 –enable-fortran make -j 4 make install ls /opt/hdf5/ bin include lib Install QE 7.2 git clone https://github.com/QEF/q-e.git cd q-e git checkout qe-7.2 Following Intel Compilers with MPI: ./configure F90=ifx CC=mpiicx CFLAGS=-O3 FFLAGS=-O3 MPIF90=mpiifx --with-hdf5=/opt/hdf5 One thing I had trouble is that the latest 2025 version does not have ifort in, so I have to cheat it a bit by using early version using soft link...