[Wien] Fail to compile wien2k

[lombaeb at science.unisa.ac.za]

1. From the error message it looks like the option '--sort-section' is 
passed to the linker (ld) and ld does not understand it. Check to see 
where this option is being specified. Try "info ld" for hints, and look in 
/etc/ld.so.conf and /etc/ld.so.conf.d/*.conf

2. The LD_ASSUME_KERNEL version specified may be a problem.  Intel 
requires that it is set to 2.4.1 on RH Enterprize Linux 3.0, despite the 
fact that the actual kernel version is 2.6.9.  I have also successfully 
used it set to 2.4.10.

3. In the .bash_profile:

I suggest to change

LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/mkl/8.0/lib/em64t:/opt/intel/fce/9.0/lib:/opt/intel/cce/9.0/lib

to

LD_LIBRARY_PATH=/opt/intel/mkl/8.0/lib/em64t:/opt/intel/fce/9.0/lib:/opt/intel/cce/9.0/lib

since by adding the "$LD_LIBRARY_PATH:", you assume that this already 
exists as an environment variable, which is most likely not the case. 
During login that statement will fail because the LD_LIBRARY_PATH variable 
is not yet known at that point. The rest of the script will most likely 
also not be executed.

This would imply that LD_LIBRARY_PATH (and also LD_ASSUME_KERNEL, since 
it is lower in the script) are not set at all. Check this by typing
  echo $LD_ASSUME_KERNEL    and    echo $LD_LIBRARY_PATH
to see whether they are defined.

Hope this helps

Regards

Enrico

--
Dr E B Lombardi
Physics Department
University of South Africa
P.O. Box 392
0003 UNISA
South Africa
Tel: +27 (0)12 429-8027
Fax: +27 (0)12 429-3643
e-mail: lombaeb at science.unisa.ac.za



> 
> It looks as if your linker is misconfigured
> 
> > ld: opción `--sort-section' no reconocida
> > ld: use la opción --help para información de modo de empleo
> > make: *** [symmetso] Error 1
> 
> --sort_section    has nothing to do with WIEN2k
> 
> Maybe it is connected with your Redhat version and the
> export LD_ASSUME_KERNEL=2.6.9
> statement...
> 
> 
> > 
> > This is an email for Peter Baha, but all wien2k users are wellcome:
> > 
> > I can not compile the code.
> > All programas have errors in the link procedures of the libraries.
> >  
> > My platform is an Intel at Xenon@ dual em64t and the operating system is RedHat
> > Enterprise 4.0 and  the release is WIEN2k_05.6
> > 
> > I try to compile with the following wien2k configuration (without first MPI and
> > SCALAPACK). The wien2k settings are:
> > Compiler options:
> > -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
> > Linker Flags:
> > -L/opt/intel/fce/9.0/lib -L/opt/intel/mkl/8.0/lib/em64t -Vaxlib -static-libcxa
> > -pthread
> > Preprocessor flags       
> > '-DParallel'
> > R_LIB (LAPACK+BLAS):
> > -lmkl_lapack -lmkl_em64t -lguide
> > 
> > ifort -o ./symmetso -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML symmetso.o
> > angle.o br1dm.o checks.o class.o clmchange.o dirdef.o dirdeh.o dirlat.o dot.o
> > gbass.o gtfnam.o inverss.o in1ch.o incch.o kurki.o latgen.o latsym.o  lmsort.o
> > locdef.o lubksb.o ludcmp.o matmm.o matinv.o matrot.o minvec.o order.o ordix.o
> > outerr.o pgbsym.o pglsym.o put.o reclat.o rewr.o rotdef.o rstruc.o strwri.o
> > symso.o symho.o symop.o volnew.o volofb.o   -L/opt/intel/fce/9.0/lib
> > -L/opt/intel/mkl/8.0/lib/em64t -Vaxlib -static-libcxa -pthread
> > ld: opción `--sort-section' no reconocida
> > ld: use la opción --help para información de modo de empleo
> > make: *** [symmetso] Error 1
> > 
> > 
> > 
> > Someone can say that I not have a fine configuration of the bash.profile.
> > I think that not but.... here you are the file for any comment:
> > 
> > # .bash_profile
> > # Get the aliases and functions
> > if [ -f ~/.bashrc ]; then
> > 	. ~/.bashrc
> > fi
> > # User specific environment and startup programs
> > PATH=$PATH:/opt/intel/mkl/8.0/lib/em64t:/opt/intel/fce/9.0/lib:/opt/intel/cce/9.0/lib:/opt/intel/cce/9.0/bin:/opt/intel/fce/9.0/bin
> > export PATH
> > # set up environment for mkl libs in LD_LIBRARY_PATH
> > LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/mkl/8.0/lib/em64t:/opt/intel/fce/9.0/lib:/opt/intel/cce/9.0/lib
> > export LD_LIBRARY_PATH
> > # On Red Hat* Enterprise Linux, in order to ensure that the correct
> > # support libraries are linked, the environment variable LD_ASSUME_KERNEL
> > # must be set
> > export LD_ASSUME_KERNEL=2.6.9
> > unset USERNAME
> > 
> > 
> > Thanks in advance.
> > Cesar
> > 
> > 
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > 
> 
> 
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
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