[Wien] Installation Problem

SANJAY KUMAR SINGH sanjayfizix at gmail.com
Tue Jun 1 08:46:40 CEST 2010 

Respected Prof. P. Blaha Sir & All wien2k users,
Sir, When I was installing wien2k I found two error which is given below.
Sir I am using Linux OS:RHEL5 and Compilers : 11.1.072 and mkl : 10.0.5.025.
Sir please guide me for this problem.I will be very grateful to you.
The bashrc is given below
# .bashrc

# User specific aliases and functions

# Source global definitions
if [ -f /etc/bashrc ]; then
    . /etc/bashrc
fi

# User specific aliases and functions

# export PATH=$PATH:/opt/intel/mkl/9.1.023/lib/32  bash
export PATH=$PATH:/opt/intel/Compiler/11.1/072/mkl/lib/32  bash
# export PATH=$PATH:/opt/intel/fc/10.1.018/bin    bash
export PATH=$PATH:/opt/intel/Compiler/11.1/072/bin/ia32   bash
# export PATH=$PATH:/opt/intel/mkl/9.1.023/tools/environment   bash
export PATH=$PATH:/opt/intel/Compiler/11.1/072/mkl/tools/environment    bash
# export PATH=$PATH:/opt/intel/idb/10.1.018/bin   bash
export PATH=$PATH:/opt/intel/Compiler/11.1/072/idb/ia32/locale/en_US
bash
export MANPATH=$MANPATH:/opt/intel/Compiler/11.1/072/man/en_US/man1   bash
# export MANPATH=$MANPATH:/opt/intel/idb/10.1.018/man/man1     bash
# export MANPATH=$MANPATH:/opt/intel/fc/10.1.018/man/man1  bash
# export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/mkl/9.1.023/lib/32
bash
export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/Compiler/11.1/072/mkl/lib/32
bash
# export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/fc/10.1.018/lib   bash
export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/Compiler/11.1/072/idb/lib/ia32
bash
# export INCLUDE=$INCLUDE:/opt/intel/mkl/9.1.023/include   bash
export INCLUDE=$INCLUDE:/opt/intel/Compiler/11.1/072/mkl/include   bash
# export
INTEL_LICENCE_FILE=$INTEL_LICENCE_FILE:/opt/intel/fc/10.1.018/licenses/bin
bash
export INTEL_LICENCE_FILE=$INTEL_LICENCE_FILE:/opt/intel/licenses     bash
# export IFLPATH=$IFLPATH:/opt/intel/fc/10.1.018/lib   bash
export IFLPATH=$IFLPATH:/opt/intel/Compiler/11.1/072/idb/lib/ia32  bash
# export MKLPATH=$MKLPATH:/opt/intel/mkl/9.1.023/lib/32   bash
export MKLPATH=$MKLPATH:/opt/intel/Compiler/11.1/072/mkl/lib/32  bash

last steps of compilation is

ld: cannot find -lmkl
make: *** [ncmsymmetry] Error 1

SRC_structeditor/SRC_readwrite ...
rm -f module.o readwrite.o convert.o rwoctave.o *.mod readwrite
clean
/opt/intel/Compiler/11.1/072/
bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback
module.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback readwrite.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback convert.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback rwoctave.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -o ./readwrite  -FR -w -mp1
-prec_div -pad -ip -DINTEL_VML -traceback
-L/opt/intel/Compiler/11.1/072/mkl/lib/32 -lguide -lpthread      module.o
readwrite.o convert.o rwoctave.o

SRC_structeditor/SRC_struct2mol ...
rm -f *.o _tmp_.* *.P .real .complex *.mod struct2mol
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c reallocate.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c module.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c gtfnam.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c errflg.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c errclr.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c outerr.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c struct2mol.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c pdb.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c xtl.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c xyz.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c pov.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c dataexp.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c make_list_P.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c make_list_F.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c make_list_B.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c make_list_H.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c make_list_R.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c make_list_CXY.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c make_list_CXZ.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c make_list_CYZ.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c add2list.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c create_in.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c getelem.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort  -FR -w -mp1 -prec_div -pad -ip
-DINTEL_VML -traceback -c create_cf.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -o ./struct2mol reallocate.o
module.o gtfnam.o errflg.o errclr.o outerr.o struct2mol.o pdb.o xtl.o xyz.o
pov.o dataexp.o make_list_P.o make_list_F.o make_list_B.o make_list_H.o
make_list_R.o make_list_CXY.o make_list_CXZ.o make_list_CYZ.o add2list.o
create_in.o getelem.o create_cf.o -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML
-traceback -L/opt/intel/Compiler/11.1/072/mkl/lib/32 -lguide -lpthread

SRC_structeditor/SRC_structgen ...
rm -f module.o spacegroup.o getlattype.o getsgnum.o getsgname.o  getzz.o
structgen.o scan_cif.o ciftbx.o hash_funcs.o test_sgname.o scan_in.o
scan_octave.o structgen *.mod
clean
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback module.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback spacegroup.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback getlattype.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback getsgnum.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback getsgname.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback getzz.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback structgen.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback scan_cif.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback ciftbx.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback hash_funcs.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback test_sgname.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback scan_in.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad
-ip -DINTEL_VML -traceback scan_octave.f
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -o ./structgen  -FR -w -mp1
-prec_div -pad -ip -DINTEL_VML -traceback
-L/opt/intel/Compiler/11.1/072/mkl/lib/32 -lguide -lpthread      module.o
spacegroup.o getlattype.o getsgnum.o getsgname.o  getzz.o structgen.o
scan_cif.o ciftbx.o hash_funcs.o test_sgname.o scan_in.o scan_octave.o
Copying programs
  SRC_afminput/afminput
WARNING: no executable found in SRC_aim. Check compile.msg in this directory
  SRC_arrows/arrows
  SRC_broadening/broadening
  SRC_cif2struct/cif2struct
  SRC_clmaddsub/clmaddsub
  SRC_clmcopy/clmcopy
WARNING: no executable found in SRC_dipan. Check compile.msg in this
directory
  SRC_dstart/dstart
  SRC_eosfit/eosfit
  SRC_eosfit6/eosfit6
WARNING: no executable found in SRC_filtvec. Check compile.msg in this
directory
  SRC_initelnes/initelnes
  SRC_initxspec/initxspec
  SRC_irrep/irrep
  SRC_joint/joint
  SRC_kgen/kgen
  SRC_kram/kram
WARNING: no executable found in SRC_lapw0. Check compile.msg in this
directory
WARNING: no executable found in SRC_lapw1. Check compile.msg in this
directory
WARNING: no executable found in SRC_lapw2. Check compile.msg in this
directory
  SRC_lapw3/lapw3
  SRC_lapw3/lapw3c
  SRC_lapw5/lapw5
  SRC_lapw5/lapw5c
WARNING: no executable found in SRC_lapw7. Check compile.msg in this
directory
WARNING: no executable found in SRC_lapwdm. Check compile.msg in this
directory
WARNING: no executable found in SRC_lapwso. Check compile.msg in this
directory
  SRC_lcore/lcore
  SRC_lorentz/lorentz
  SRC_lstart/lstart
WARNING: no executable found in SRC_mini. Check compile.msg in this
directory
WARNING: no executable found in SRC_mixer. Check compile.msg in this
directory
  SRC_nn/nn
  SRC_optic/optic
  SRC_optic/opticc
  SRC_optimize/optimize
  SRC_orb/orb
WARNING: no executable found in SRC_pairhess. Check compile.msg in this
directory
WARNING: no executable found in SRC_qtl. Check compile.msg in this directory
  SRC_reformat/reformat
  SRC_sgroup/sgroup
  SRC_spacegroup/spacegroup
  SRC_spaghetti/spaghetti
  SRC_sumpara/sumpara
  SRC_supercell/supercell
  SRC_symmetry/symmetry
  SRC_symmetso/symmetso
  SRC_telnes2/telnes2
  SRC_tetra/tetra
  SRC_txspec/txspec
  SRC_w2web/w2web
cp: `SRC_w2web/w2web' and `/home/wien/wien2k/w2web' are the same file
WARNING: no executable found in SRC_structeditor/SRC_ncmsymmetry. Check
compile.msg in this directory
  SRC_structeditor/SRC_readwrite/readwrite
  SRC_structeditor/SRC_struct2mol/struct2mol
  SRC_structeditor/SRC_structgen/structgen

done.

Compile time errors (if any) were:
SRC_aim/compile.msg:make[1]: *** [aim] Error 1
SRC_aim/compile.msg:make: *** [real] Error 2
SRC_aim/compile.msg:make[1]: *** [aimc] Error 1
SRC_aim/compile.msg:make: *** [complex] Error 2
SRC_dipan/compile.msg:make: *** [dipan] Error 1
SRC_filtvec/compile.msg:make[1]: *** [filtvec] Error 1
SRC_filtvec/compile.msg:make: *** [real] Error 2
SRC_filtvec/compile.msg:make[1]: *** [filtvecc] Error 1
SRC_filtvec/compile.msg:make: *** [complex] Error 2
SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error 1
SRC_lapw0/compile.msg:make: *** [seq] Error 2
SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1
SRC_lapw1/compile.msg:make: *** [real] Error 2
SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1
SRC_lapw1/compile.msg:make: *** [complex] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1
SRC_lapw2/compile.msg:make: *** [real] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1
SRC_lapw2/compile.msg:make: *** [complex] Error 2
SRC_lapw7/compile.msg:make[1]: *** [lapw7] Error 1
SRC_lapw7/compile.msg:make: *** [real] Error 2
SRC_lapw7/compile.msg:make[1]: *** [lapw7c] Error 1
SRC_lapw7/compile.msg:make: *** [complex] Error 2
SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1
SRC_lapwdm/compile.msg:make: *** [real] Error 2
SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1
SRC_lapwdm/compile.msg:make: *** [complex] Error 2
SRC_lapwso/compile.msg:make: *** [lapwso] Error 1
SRC_mini/compile.msg:make: *** [mini] Error 1
SRC_mixer/compile.msg:make: *** [mixer] Error 1
SRC_pairhess/compile.msg:make: *** [pairhess] Error 1
SRC_qtl/compile.msg:make: *** [qtl] Error 1
SRC_structeditor/compile.msg:make[1]: *** [ncmsymmetry] Error 1
SRC_structeditor/compile.msg:make: *** [all] Error 2
SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1

With Kind Regards
Thanks


-- 
SANJAY KUMAR SINGH
RESEARCH SCHOLAR
CONDENSED MATTER THEORY GROUP
SCHOOL OF STUDIES IN PHYSICS
JIWAJI UNIVERSITY
GWALIOR -474011 (M.P) INDIA
PHONE  :0091-751-2442777  (OFFICE)
FAX  :0091-751-2442784.
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