[DFTB-Plus-User] Cannot Compile dftb-plus!

Ben Hourahine benjamin.hourahine at strath.ac.uk
Sun Dec 20 11:30:09 CET 2009


MKL is a library from intel which includes all of the functionality of
the two libraries (lapack and blas) which DFTB+ uses. On intel processors
MKL probably will give higher performance, but you can install optimized
blas and lapack (see the atlas library at www.netlib.org or Goto blas).



Duo SONG wrote:
> Dear dftb-plus users,
> How are you? I am helping my friend compile dftb-plus. After typing 
> make in prg_dftb, everything foes smooth first, but an error report  
> "ld: cannot find -lmkl_lapack" appeared. He is using ifort compiler. I 
> think the lapack is absent in his system. However, someone told me 
> that I should install mkl instead because ifort does not need lapack. 
> So I need your help. Thank you very much! I am grateful for any answer 
> you reply.
> Best wishes,
> Duo Song
> -- 
> SONG Duo
> Undergraduate Student
> Department of Materials Science and Engineering
> University of Science and Technology of China

     Dr. B. Hourahine, SUPA, Department of Physics,
   University of Strathclyde, John Anderson Building,
          107 Rottenrow, Glasgow G4 0NG, UK.
    +44 141 548 2325, benjamin.hourahine at strath.ac.uk
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