[Wien] compilation problem for the installation of wien2k

Laurence Marks L-marks at northwestern.edu
Tue Feb 7 04:13:22 CET 2012


Please read the file compile.msg for the specifics of the errors. I expect
that you have not specified the mkl libraries correctly. Please check the
mailing list, particularly the Intel linking guide page.

Note, if you do not provide more information, nobody can help you. Also,
you should try and help yourself, that is how you learn.

---------------------------
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
 On Feb 6, 2012 8:07 PM, "Madhav Ghimire" <ghimire.mpg at gmail.com> wrote:

> Dear Wien users,
> I have installed centos 6 in my pc and successfully installed the fortran
> compiler as /opt/intel/composer_xe_2011_sp1/bin/ifort. But then when I
> tried to install wien2k 11.1 version or less, it shows 27 errors in various
> steps of lapw and others. Is there any specific reason why the compilation
> to wien2k is not possible or something else.
> Could anyone help me to solve this problem. I will be very grateful to you
> all.
> *For your information,
> the .bash_profile I have used is;*
> # .bash_profile
>
> # Get the aliases and functions
> if [ -f ~/.bashrc ]; then
>     . ~/.bashrc
> fi
>
> # User specific environment and startup programs
>
> PATH=$PATH:$HOME/bin
> PATH="/opt/intel/composerxe-2011.5.220/bin/intel64/":${PATH}
> #PATH="/opt/intel/composerxe-2011.5.220/bin/intel64/":${PATH}
> export PATH
> MANPATH="/opt/intel/composerxe-2011.5.220/man/en_US/man1:${MANPATH}"
> export PATH
>
> LD_LIBRARY_PATH="/opt/intel/composerxe-2011.5.220/compiler/lib/intel64/":$LD_LIBRARY_PATH
>
> LD_LIBRARY_PATH="/opt/intel/composerxe-2011.5.220/mkl/lib/intel64/":$LD_LIBRARY_PATH
> export LD_LIBRARY_PATH
> INCLUDE="/opt/intel/composerxe-2011.5.220/mkl/include/":$INCLUDE
> export INCLUDE
> INTEL_LICENSE_FILE="/opt/intel/licenses"
> export INTEL_LICENSE_FILE
> *and my PC is i5 HP-laptop and workstation.*
>
> Regards
> --
> M. P. Ghimire
>
>
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> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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>
>
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