[CP2K-user] [CP2K:18968] Run error of toolchain script for cp2k 9.1

[Jibiao Li]

Hi all,

I want to compile cp2k 9.1 parrellly with intel fortran compiler (oneAPI)
and OpenMPI. So I tried to run the toolchain script by the command below.
However, it seems that the system does not recognize "
--with-intel=system". What's the correct way to specify intel fortran
compiler?

jibiaoli at ubuntua:~/codes/cp2k-9.1.0/tools/toolchain$
./install_cp2k_toolchain.sh --with-intel=system --mpi-mode=openmpi
--math-mode=mkl --with-cmake=system --with-libint=no --with-libxsmm=no
--with-elpa=no --with-pexsi=no --with-quip=no --with-plumed=no
--with-spglib=install --with-cosma=no --with-libvori=no --with-gsl=no
--with-spfft=no --with-hdf5=no --with-spla=no --with-mkl=system
--with-fftw=install --with-libxc=install --with-sirius=install
MPI is detected and it appears to be OpenMPI
ERROR: (./install_cp2k_toolchain.sh) Unknown flag: --with-intel=system

Best
Jibiao Li

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