[DFTB-Plus-User] Compiling 19.1 with MPI

Sharma SRK Chaitanya Yamijala sharmajncasr at gmail.com
Wed May 20 20:45:45 CEST 2020


Hi Balint,

Thank you :-) The tar file that you provided does have these additional
files.

I want to bring to your notice that earlier also I downloaded a tar file
but from the following link (Github releases page). However, this link does
not have all the necessary files.

https://github.com/dftbplus/dftbplus/archive/19.1.tar.gz

Thanks,
Sharma.

P. S.: Since having different tar files on the DFTB+ and Github pages could
create confusion, I *request* to point us (users) to the same link for the
*released* stable versions (since many users might not be using the git
command line to download the packages). At the same time, I do acknowledge
that you might be keeping them different since you are using the
git-sub-modules.

--------------------------------------------------------------------
SRK *Chaitanya* Sharma, Yamijala.
https://scholar.google.com/citations?hl=en&user=IglNkREAAAAJ



On Wed, May 20, 2020 at 8:03 AM Bálint Aradi <aradi at uni-bremen.de> wrote:

> 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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> DFTB-Plus-User at mailman.zfn.uni-bremen.de
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