[CP2K-user] [CP2K:18979] Re: Run error of toolchain script for cp2k 9.1

[Jibiao Li]

Hi, all

Can anyone help me to remove the error? I am completely new to both LINUX 
and CP2K. Need your help !

Best Regards

Jibiao Li

On Saturday, 24 June 2023 at 15:13:10 UTC+8 Jibiao Li wrote:

> 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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