[DFTB-Plus-User] Compiling Error

Marcelo Zimmer mzsflores at gmail.com
Fri Jun 13 16:00:00 CEST 2008


Dear Dr. Balint and Benjamin,

Thank you for your quick answer. I could manage to compile the code with
both

LIB_BLAS = -lmkl
LIB_LAPACK = -lmkl_lapack -lmkl -lguide -lpthread

and

LIB_BLAS   = -lmkl -lguide -lpthread
LIB_LAPACK = -lmkl_lapack

suggestions, however I couldn't compile when the flag -lmkl_em64t is
present. I don't think it's a problem, it's just to report which
combinations were successful and which were not.

Best regards,

Marcelo Zimmer


2008/6/13 Balint Aradi <balint.aradi at bccms.uni-bremen.de>:

> Dear Marcelo,
>
>  as Ben already pointed out, the settings for the MKL 10 differs from
> those for the MKL 9 (which was the stable version of MKL when we
> released DFTB+ 1.0.1).
>
>  On our x86_64 machines I ususally set in Makefile.user the variables
> LIB_BLAS and LIB_LAPACK the following way:
>
> LIB_BLAS   = -lmkl -lguide -lpthread
> LIB_LAPACK = -lmkl_lapack
>
>  That should very likely work for you as well.
>
>
>  Best regards,
>
>  Bálint
>
> --
> Dr. Bálint Aradi
> Bremen Center for Computational Materials Science, University of Bremen
> TAB A/3.10, Am Fallturm 1, 28359 Bremen, Germany, Tel.: +49 421 2187421
> http://www.bccms.uni-bremen.de/en/people/home/b_aradi/
>
>
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>
>


-- 
===================================================
                               Marcelo Zimmer S. Flores
                                 (PhD Physics Student)

Address:
       Universidade Estadual de Campinas - UNICAMP
       Instituto de Fisica Gleb Wataghin - IFGW
       Grupo de Solidos Organicos e Novos Materiais - GSONM
       Departamento de Fisica Aplicada (DFA) - Room 61
       Campinas - Sao Paulo - Brazil
       13083-970
       Caixa Postal: 6165
       zimmer at ifi.unicamp.br
===================================================
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