[DFTB-Plus-User] Error in installation

Bálint Aradi aradi at uni-bremen.de
Tue Sep 29 21:05:17 CEST 2020


Dear Akanksha,

I'd recommend to download the precompiled binary from

https://github.com/dftbplus/dftbplus/releases/download/20.1/dftbplus-20.1.x86_64-linux.tar.xz

which would run without any compilation on your computer. Alternatively,
you can obtain  DFTB+ also via the Anaconda, if you are familiar with
that package manager.

As for the concrete error: Apparently, you have specified a LAPACK
library (mkl_gf_lp64) which could not be found on your system. If it is
not installed in the standard library locations, you can use the
LAPACK_LIBRARY_DIRS variable to configure its location, so that CMake
can find it.

Best regards,

Bálint


On 29.09.20 11:45, Akanksha Ashok Sangolkar wrote:
> Dear Sir or madam,
> I am interested to work on DFTB+, but during installation i am getting
> the error:
>
> CMake Error at cmake/dftbpUtils.cmake:196 (messege):
>  Could not find library 'mkl_gf_lp64' using library path hints  ' '
> Call Stack (most recent call first):
>  CMakeLists.txt:99 (dftbp_create_library_targets)
>
> -- Configuration incomplete, error occurred!
>
>
> I don't have any idea regarding this issue but I think may be it is
> related to some Lapack library. Any help would be appreciated. I would
> be thankful to all of you for your suggestions to rectify the error.
>
> Thanking you
>
> _______________________________________________
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> DFTB-Plus-User at mailman.zfn.uni-bremen.de
> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
>

-- 
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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