../configure --enable-optim=standard --with-config-file='../install.ac9' |tee log.configure ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~` prefix=/opt/apps/ompi/abinit/9.10.4/ # MPI settings #with_mpi="yes" #enable_mpi_io="yes" # linear algebra settings # mandatory libraries with_hdf5="yes" with_netcdf="yes" with_netcdf_fortran="yes" with_libxc="yes" # FFT flavor #with_fft_flavor="fftw3" #FFTW3_LIBS="-L/opt/intel/24.0/ompi/fftw-3.3.10-mpi/lib -lfftw3 -lfftw3_omp" # Enable Netcdf mode in Abinit (use netcdf as default I/O library) enable_netcdf_default="yes" FC="mpif90" CC="/opt/gnu/11.4.1/ompi/bin/mpicc" CXX="mpicxx" LIBS=" -L/opt/gnu/11.4.1/lib64 -llapack -lrefblas " enable_mpi_io="auto" with_mpi="/opt/intel/24.0/ompi/" MPI_LDFLAGS="-fPIC " with_optim_flavor="standard" #with_linalg_flavor="mkl" LINALG_FCFLAGS="" #-I/opt/intel/mkl/include/ -mkl" LINALG_CPPFLAGS="" #-I/opt/intel/mkl/include/ -mkl" LINALG_LDFLAGS=" " LINALG_LIBS=" -L/opt/gnu/11.4.1/lib64 -llapack -lrefblas " # #udo with_fftw3="/opt/intel/24.0/ompi/fftw-3.3.10-mpi/" # with_hdf5="/opt/apps/gompi/abinit/libs/hdf5/" with_libxc="/opt/apps/gompi/abinit/libs/libxc/" # enable_netcdf_default="yes" with_netcdf="/opt/apps/gompi/abinit/libs/netcdf/" with_netcdf_fortran="/opt/apps/gompi/abinit/libs/netcdf-fortran/" with_netcdf_libs="-L/opt/apps/gompi/abinit/libs/netcdf-fortran/lib/ -lnetcdff -L/opt/apps/gompi/abinit/libs/netcd f/lib/ -lnetcdf -lnetcdf -lm -L/opt/apps/gompi/abinit/libs/hdf5/lib/ -lhdf5_fortran -lhdf5_hl -lhdf5" with_netcdf_incs="-I/opt/apps/gompi/abinit/libs/netcdf-fortran/include/ -I/opt/apps/gompi/abinit/libs/netcdf/inclu de/" # #with_libxml2="/opt/apps/ompi/abinit/lib/libxml2" #with_wannier90="/opt/apps/ompi/abinit/libs/wannier90/" # #influences wannier + LibXC with_libpsml="/opt/apps/ompi/abinit/lib/libpsml" #udo with_xmlf90="/opt/apps/ompi/abinit/lib/xmlf90" # #didn't work #with_libpaw="/opt/apps/ompi/abinit/lib/libpaw" #LIBPAW_LDFLAGS="-L/opt/apps/ompi/abinit/lib/libpaw/lib/ -latompaw" #LIBPAW_LIBS="-L/opt/apps/ompi/abinit/lib/libpaw/lib/ -latompaw" # with_fallbacks="yes"