[Wien] compilation problem of wien2k

[Chandrika]

Hi Arun,
You should download the latest version of Wien as well as mkl libraries form the Intel site (this is free). Then look up the article by Gerhard Fecher on the Wien site on how to compile Wien on Intel ( http://www.ghfecher.de/html/bandstructure.html )
Follow the suggested options for compilation.
Best wishes
Chandrika 
  ----- Original Message ----- 
  From: Arun Kr. Chatterjee 
  To: wien at zeus.theochem.tuwien.ac.at 
  Sent: Tuesday, October 30, 2007 1:17 PM
  Subject: [Wien] compilation problem of wien2k


  Respected All,
                        I am working with an old version of wien i.e. wien2k _03 on my machine which has intel pentium 4 as processor, ifort 9.1.036 as fortran compilerbut with no mkl libraries. I am trying to run the example of TiC. During compilation I am using the following options:O=> -FR -w -mp1 -prec_div -pad -ipo
                           L=>-L../wien2k/SRC_lib/lapack_lapw -i -static -L/wien2k/SRC_lib/blas_lapw -i -static
                           P=>'-DParallel'
                           R=>-llapack_lapw -lblas_lapw -llapack_lapw -lblas_lapw
  The problem I am facing now is in certain dirctories e.g.SRC_filtvec,lapw2,lapw7,lapwdm,lapwso,qtl  messages such as  IPO link: cannot find -lapack_lapw  are coming during compilation. Also message: Because of COMMON,the alignment of object is inconsistent with its type   -is received in SRC_cif2struct directory. However I have cheked the location othe libraries in   
   /usr/lib/libblas.a
   /usr/lib/liblapack.a
   Without removing the error I cannot do anything.
  Will somebody come forward to help me.

  arun



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