[DFTB-Plus-User] dftbplus-1.3.0 stops at _dir_extlib_dftd3

Biswajit Santra bishalya at gmail.com
Fri Dec 2 21:02:11 CET 2016


Dear Bálint,

Thanks a lot.

That was my mistake. With the external libraries present the compilation
goes through.

However, the installer is unable to find the "arpack" library. I also could
not find it so that I can provide the path in the makefile. Currently, it
is written in the makefile as

CPPOPT += -DWITH_ARPACK
LIB_ARPACK = -larpack

I only see arpack related files in these paths

src/prg_dftb/_obj_x86_64-linux-intel/arpack.mod
src/prg_dftb/_obj_x86_64-linux-intel/arpack.o
src/prg_dftb/_obj_x86_64-linux-intel/_mod_arpack
src/prg_dftb/_obj_x86_64-linux-intel/_extlib_arpack
src/lib_extlibs/arpack.F90

Best wishes,
Biswajit

Biswajit Santra
Mobile: +1-609-227-9202
http://www.princeton.edu/~bsantra/

On Fri, Dec 2, 2016 at 3:24 AM, Bálint Aradi <aradi at uni-bremen.de> wrote:

> Dear Biswajit,
>
> > Compilation of dftbplus-1.3.0 stops at _dir_extlib_dftd3. It seems some
> > dependency issue. How can it be solved? Please see below the error
> > message. Thanks a l lot
>
> Did you also download the extlib sources? They must be extracted from
> the same folder as where the dftb+ source has been extracted. As stated
> on the website, they are needed in order to compile the code. (I've made
> it now more explicit).
>
> 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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