[DFTB-Plus-User] Compiling 19.1 with MPI

[Bálint Aradi]

Dear Sharma,

> /rhome/syamijala/bigdata/Softwares/dftbplus-19.1/external/mpifx/origin/src/Makefile.lib:
> No such file or directory
> make[2]: *** No rule to make target
> `/rhome/syamijala/bigdata/Softwares/dftbplus-19.1/external/mpifx/origin/src/Makefile.lib'. 
> Stop.
> make[2]: Leaving directory
> `/bigdata/wonglab/syamijala/Softwares/dftbplus-19.1/_build_wD3_wMPI_noAR/external/mpifx'
> make[1]: *** [libmpifx] Error 2
> make[1]: Leaving directory
> `/bigdata/wonglab/syamijala/Softwares/dftbplus-19.1/_build_wD3_wMPI_noAR/external/mpifx'
> make: *** [external_mpifx] Error 2
> 
> Any suggestions on how to fix this error?

It seems, as if the mpifx library were missing. If you download the
source code from the DFTB+ website

http://www.dftbplus.org/fileadmin/DFTBPLUS/public/dftbplus/19.1/dftbplus-19.1.tar.xz

it should be included. If you clone the repository from github, make
sure, you also get the submoduled by issuing

git submodule update --init --recursive

See also the INSTALL.rst file

https://github.com/dftbplus/dftbplus/blob/19.1/INSTALL.rst


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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