#!/bin/bash #module load Intel IntelMPI imkl # the parastation MPI seems to work better than Intel MPI module load intel-para/2018b-mt # the next line is important because otherwise the QE configure does not # recognise JUWELS as a Linux system unset ARCH CC=icc FC=ifort MPIF90=mpiifort ./configure --enable-openmp --with-scalapack=intel