[DFTB-Plus-User] compiling DFTB+

Bálint Aradi aradi at uni-bremen.de
Thu Apr 26 15:42:04 CEST 2018


Dear Helen,

> `/opt/prg_dftb_18.1/dftbplus-18.1/_build/external/fsockets'
> mpif90 -O2 -qopenmp -ip -standard-semantics -heap-arrays 10 -o
> fsockets.o -c
> /opt/prg_dftb_18.1/dftbplus-18.1/external/fsockets/fsockets.f90
> gfortran: error: 10: No such file or directory
> gfortran: error: unrecognized command line option ‘-qopenmp’
> gfortran: error: unrecognized command line option ‘-ip’
> gfortran: error: unrecognized command line option ‘-standard-semantics’
> gfortran: error: unrecognized command line option ‘-h’
> 
> I have gfortran on my computer,

> Can anybody give me advice to why I can't compile?

Because you use the settings for the Intel compiler, but your mpif90 is
apparently a wrapper around the GNU compiler. Either use the settings
for the GNU-compiler or make sure you invoke the right mpif90 (the one
which wraps the Intel compiler).

  Best regards,

  Bálint


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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