Parallel CP2K installation using MKL

Andreas Glöss andreas... at
Wed Mar 23 10:09:58 UTC 2016

I'm sorry, but I don't understand your questions - please be more specific 
and precise.

If you don't have the 'mpiifort' command, then you don't have INTEL MPI 
installed and therefore you will need OpenMPI or MPICH. Please check the 
output of the following command:

'mpifort --version'

If you see a message like this:

GNU Fortran (SUSE Linux) 4.8.1 20130909 [gcc-4_8-branch revision 202388]
Copyright (C) 2013 Free Software Foundation, Inc.

'gfortran' will be used to compile.

To help you further, we need more information about your system:
1) laptop/PC or HPC machine?
2) 'module' command available? If 'yes', what is the output of 'module 
3) content of $MKLROOT/lib/intel64
4) Version and package name of the INTEL compiler.

If none of the INTEL requirements are fulfilled, the toolchain script, 
located in 'cp2k/tools/toolchain', will help you to download and install 
all requirements. This, however, will not produce an optimal (optimized) 

Best regards,

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