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

[Tiziano Müller]

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
tiziano... at chem.uzh.ch