[DFTB-Plus-User] grimme d3 dispersion in a MPI version of dftb+

Bálint Aradi aradi at uni-bremen.de
Tue Feb 13 10:08:35 CET 2018


Hi Daniele,

> I will try to use a more recent version of the compiler.
> Regarding the mpifx and scalapackfx I have downloaded them separately as
> zip files.

If you download the development version, I'd strongly suggest to use
'git clone' as described in the INSTALL.rst file

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

This would automatically downoad the mpifx and scalapackfx libraries and
put them into the right location. Downloading as zip is discouraged, as
it does not get the submodules.

  Cheers,

   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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