[DFTB-Plus-User] about compiling the dftb+,thanks!

[Bálint Aradi]

Dear DFTB+ user,

>   I will compile the DFTB+_snapshot-081217, however something is wrong,
> could anyone help me?
> 
> 1)  I use make.i686-linux-ifort-openmp file as follow:

 based on the MKL version you are using, you have probably to change the
MKL-settings. In your case, probably the easiest choice would be to set
"-lmkl_lapack -lmkl -lguide -lpthread" and remove the "-i-static" flag
from the LNOPT variable. Bear in mind, that this will give you a
dynamically linked binary, which needs the MKL-libraries being around
and set the correct LD_LIBRARY_PATH environment variabe when being run.
(You can check with "ldd dftb+" which libraries your binary depends on,
and if they can be resolved.)

  Otherwise, if you wish to compile a static binary, please consult the
manual of your specific MKL version, as the library setup for this has
been changed several times during the past few MKL releases.

 Best regards

   Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/en/~b_aradi


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