[Wien] Installation Problem
Robert Laskowski
rolask at theochem.tuwien.ac.at
Tue Jun 1 09:21:05 CEST 2010
hi,
look at compile.msg files, it should tell you what is wrong. And, the more
elegant way to set intels environment is to source the ifortvars.sh file.
regards
Robert
On Monday 31 May 2010 17:23:31 SANJAY KUMAR SINGH wrote:
> 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.
--
Dr Robert Laskowski
Vienna University of Technology,
Institute of Materials Chemistry,
Getreidemarkt 9/165-TC, A-1060 Vienna
tel. +43 1 58801 15675
Fax +43 1 58801 15698
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