#MODULES ml purge ml load FFTW/3.3.7-gompi-2018a libxc/3.0.0-GCC-6.3.0-2.27 ScaLAPACK/2.0.2-gompi-2018a-OpenBLAS-0.2.20 #ABINIT 8.10.1 CONFIG ./configure --prefix=/home/acamm/bin/abinit-8.10.1_a \ --enable-mpi --enable-optim="aggressive" \ --enable-mpi-io \ --enable-mpi-inplace \ --with-fft-flavor="fftw3-mpi" \ --with-fft-libs="-lfftw3 -lfftw3f -lfftw3_mpi -lfftw3f_mpi -lfftw3_threads -lfftw3f_threads" \ --with-fft-incs="-I/apps/all/FFTW/3.3.7-gompi-2018a/include" \ --with-linalg-libs="-lscalapack -lopenblas" \ --with-dft-flavor="libxc" \ --with-libxc-libs="-lxcf90 -lxc" \ --with-libxc-incs="-I/apps/all/libxc/3.0.0-GCC-6.3.0-2.27/include" \ FC=mpif90 \ CC=mpicc \ CXX=mpicxx