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. -------------- next part -------------- An HTML attachment was scrubbed... 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