[Wien] Fail to compile wien2k

cesar at unizar.es cesar at unizar.es
Mon Nov 28 11:16:41 CET 2005


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

The next is a sample but I ve got it for all programs. Moreover, the error is
the same (during the linking procedure)....

SRC_symmetso ...
rm  -f 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    symmetso.P
angle.P br1dm.P checks.P class.P clmchange.P dirdef.P dirdeh.P dirlat.P dot.P
gbass.P gtfnam.P inverss.P in1ch.P incch.P kurki.P latgen.P latsym.P  lmsort.P
locdef.P lubksb.P ludcmp.P matmm.P matinv.P matrot.P minvec.P order.P ordix.P
outerr.P pgbsym.P pglsym.P put.P reclat.P rewr.P rotdef.P rstruc.P strwri.P
symso.P symho.P symop.P volnew.P volofb.P  symmetso.prj angle.prj br1dm.prj
checks.prj class.prj clmchange.prj dirdef.prj dirdeh.prj dirlat.prj dot.prj
gbass.prj gtfnam.prj inverss.prj in1ch.prj incch.prj kurki.prj latgen.prj
latsym.prj  lmsort.prj locdef.prj lubksb.prj ludcmp.prj matmm.prj matinv.prj
matrot.prj minvec.prj order.prj ordix.prj outerr.prj pgbsym.prj pglsym.prj
put.prj reclat.prj rewr.prj rotdef.prj rstruc.prj strwri.prj symso.prj symho.prj
symop.prj volnew.prj volofb.prj   \
        symmetso.xref
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c symmetso.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c angle.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c br1dm.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c checks.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c class.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c clmchange.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c dirdef.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c dirdeh.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c dirlat.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c dot.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c gbass.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c gtfnam.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c inverss.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c in1ch.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c incch.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c kurki.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c latgen.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c latsym.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c lmsort.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c locdef.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c lubksb.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c ludcmp.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c matmm.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c matinv.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c matrot.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c minvec.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c order.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c ordix.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c outerr.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c pgbsym.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c pglsym.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c put.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c reclat.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c rewr.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c rotdef.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c rstruc.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c strwri.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c symso.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c symho.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c symop.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c volnew.f
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c volofb.f
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




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