[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
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>
--
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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