Hi,
your configure command reformatted for readability
Code: Select all
CC=mpiicc CXX=mpiicpc FC=mpiifort F77=mpiifort \
../configure \
--with-mpi=/public1/soft/mpich/3.1.4 \
--with-linalg=/public1/soft/intel/2018/compilers_and_libraries_2018.2.199/linux/mkl \
--with-hdf5=/public1/home/sc30842/tarballs/hdf5-install \
--with-libxc=/public1/soft/libxc/4.0.5-icc18 \
--with-netcdf=/public1/home/sc30842/tarballs/netcdf-install \
--with-netcdf-fortran=/public1/home/sc30842/tarballs/netcdf-install \
--prefix=/public1/home/sc30842/abinit-install
I don't understand why you initialize "--with-mpi" with MPICH 3.1.4
when you manifestly have the "Intel® MPI Library" ( FC=mpiifort ) ?
To be sure, pls, the outputs of these cmds :
Code: Select all
mpifort --version
mpifort -show
mpiifort -V
mpiifort -show
concerning netcdf-fortran, can you show the outputs of these cmds :
Code: Select all
nc-config --all
nf-config --all
ls /public1/home/sc30842/tarballs/netcdf-install/lib
can you try with this config.ac file
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FC="mpiifort"
CC="mpiicc"
CXX="mpiicpc"
with_mpi="yes"
enable_mpi_io="yes"
with_linalg_flavor="mkl"
LINALG_CPPFLAGS="-I${MKLROOT}/include"
LINALG_FCFLAGS="-I${MKLROOT}/include"
LINALG_LIBS="-L${MKLROOT}/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group"
with_fft_flavor="dfti"
with_libxc="/public1/soft/libxc/4.0.5-icc18"
with_hdf5="/public1/home/sc30842/tarballs/hdf5-install "
with_netcdf="/public1/home/sc30842/tarballs/netcdf-install"
with_netcdf_fortran="/public1/home/sc30842/tarballs/netcdf-install"
and execute this command ?
Code: Select all
./configure --with-config-file="./config.ac"