[CP2K-user] [CP2K:10978] Error in Compilation ARCH files

[Tiziano Müller]

Dear Pradip

As I wrote:

>     If you have MPI installed (a development package if you're using MPI
>     from a Linux distribution), make sure that you either specify the
>     correct compiler name (MPI compiler wrapper) in your arch file or that
>     the directory where your `mpif90` is located is in your PATH variable
>     (check with `command -v mpif90`).

see also

  https://unix.stackexchange.com/a/26059

Best regards,
Tiziano

Am 28.11.18 um 07:03 schrieb Pradip Si:
> Dear Tiziano,
>                     I have installed MPI and openBLAS-0-2-20 for
> toolchain. Still I am getting this error.
> Best regards,
> Pradip
> 
> On Tue, Nov 27, 2018 at 4:06 PM Tiziano Müller
> <tiziano... at chem.uzh.ch <mailto:tiziano... at chem.uzh.ch>> wrote:
> 
>     Dear Pradip
> 
>     On 27.11.18 11:16, Pradip Si wrote:
>     > Dear all,
>     >               I'm trying to install *cp2k 6.1*, I followed the
>     > instructions on the documentation, however I am still having this
>     error.
>     > I also added the ARCH file that is edited by me -which is the
>     source of
>     > the problem I think.
> 
>     I only see the error.txt, but this indicates already a number of
>     problems.
> 
>     First it seems that your MPI installation is incomplete:
> 
>        /bin/sh: mpif90: command not found
> 
>     If you have MPI installed (a development package if you're using MPI
>     from a Linux distribution), make sure that you either specify the
>     correct compiler name (MPI compiler wrapper) in your arch file or that
>     the directory where your `mpif90` is located is in your PATH variable
>     (check with `command -v mpif90`).
> 
>     Furthermore, the include paths in your compilation output point to
>     `/fftw/3.3/include`, `/libxsmm/1.9/include`, etc. suggesting that you
>     based your ARCH file on `Linux-x86-64-gfortran.popt` but did not set
>     the
>     required `GCC_DIR` variable with all the requirements for CP2K, see also
> 
>        https://www.cp2k.org/howto:compile
> 
>     If you haven't build those dependencies yet, I suggest you use one of
>     the following options:
> 
>     * the CP2K toolchain in tools/toolchain
>        ... builds all dependencies and generates matching ARCH files
>     * Spack: https://spack.io/
>        ... can build CP2K with all specified dependencies
>     * EasyBuild: https://easybuild.readthedocs.io/
>        ... can build CP2K with all specified dependencies
> 
>     Best regards,
>     Tiziano
> 
>     -- 
>     Tiziano Müller
>     University of Zurich
>     Department of Chemistry
>     Winterthurerstrasse 190
>     CH-8057 Zürich
> 
>     Tel: +41 44 63 54234
>     www.chem.uzh.ch <http://www.chem.uzh.ch>
>     tiziano... at chem.uzh.ch <mailto:tiziano... at chem.uzh.ch>
> 

-- 
Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich

Tel: +41 44 63 54234
www.chem.uzh.ch
tiziano... at chem.uzh.ch