[Wien] Fail to compile wien2k (to Enrico)
lombaeb at science.unisa.ac.za
lombaeb at science.unisa.ac.za
Thu Dec 1 16:50:47 CET 2005
The only other suggestion I have is:
in ~/wien2k/
delete the INSTALLDATE file
edit the OPTIONS file to read as follows:
current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
current:LDFLAGS:-L/opt/intel/fce/9.0/lib -L/opt/intel/mkl/8.0/lib/em64t -lguide -lguide_stats -lsvml -lpthread
current:DPARALLEL:'-DParallel'
current:R_LIBS:-lmkl_lapack -lmkl_em64t -lguide -lguide_stats -lpthread
current:RP_LIBS:-L /usr/local/SCALAPACK -L /usr/local/BLACS/LIB -lpblas -lredist -ltools -lscalapack -lfblacs -lblacs -lmpi
run siteconfig, choosing option J
do not change any options when siteconfig asks for compiler
options and libraries
recompile.
(This works for sure on SUSE 10.0 and RH Enterprize Linux 3.)
Regards
Enrico
On Tue, 29 Nov 2005, Gerhard H Fecher wrote:
> I wonder where you found the options
> -Vaxlib -static-libcxa -pthread
> in the Intel compiler manual, they will not work that way. The first two are
> not longer in use since some years and the last one should read -lpthread.You
> will find a lot of postings on suggested switches that are correct, please
> search through the mailing list.
>
> Ciao
> Gerhard
>
> Am Dienstag, 29. November 2005 17:30 schrieb César de la Fuente:
> > To Enrico
> >
> > Thanks for your suggestions but No way to your points 1, 2 and 3.
> >
> > Seems like LD-linker of RHE4_WS does not match with Intel softs,
> > or my ld linker completely is out or they do not talk the same universal
> > script-language.
> >
> > Could be a problem of Intel?, I ll try to find the answer in the Intel
> > forums.
> >
> > Meanwhile, I will change from Red Hat Enterprise 4 to 3 (It should be much
> > more developed).
> >
> > Thanks anyway.
> > Cesar.
> >
> >
> > Dr. César de la Fuente
> > add1: Facultad de Ciencias - Dep. Física de la Materia Condensada
> > Ciudad Universitaria, 50009 Zaragoza, SPAIN
> > add2: Centro Politécnico Superior - Dep. Física de la Materia Condensada
> > C/María de Luna, 3, 50018 Zaragoza, SPAIN
> > Tfno. 34 976762395
> > Fax: 34 976762395
> >
> >
> >
> >
> >
> > -----Mensaje original-----
> > De: wien-bounces at zeus.theochem.tuwien.ac.at
> > [mailto:wien-bounces at zeus.theochem.tuwien.ac.at] En nombre de
> > lombaeb at science.unisa.ac.za
> > Enviado el: lunes, 28 de noviembre de 2005 15:52
> > Para: A Mailing list for WIEN2k users
> > Asunto: Re: [Wien] Fail to compile wien2k
> >
> > 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=$LD_LIBRARY_PATH:/opt/intel/mkl/8.0/lib/em64t:/opt/intel/fce
> > /9.0/lib:/opt/intel/cce/9.0/lib
> >
> > to
> >
> > LD_LIBRARY_PATH=/opt/intel/mkl/8.0/lib/em64t:/opt/intel/fce/9.0/lib:/opt/int
> > el/cce/9.0/lib
> >
> > since by adding the "$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/i
> > > > ntel/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/
> > > ----------------------------------------------------------------------
> > > ---- _______________________________________________
> > > Wien mailing list
> > > Wien at zeus.theochem.tuwien.ac.at
> > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > >
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
More information about the Wien
mailing list