<font style="font-family: arial narrow,sans-serif;" size="2">Respected Prof. P. Blaha Sir & All wien2k users,<br>Sir, When I was installing wien2k I found two error which is given below.<br>Sir I am using Linux OS:RHEL5 and </font><font size="2">Compilers : 11.1.072 and mkl : 10.0.5.025.<br>
Sir please guide me for this problem</font><font style="font-family: arial narrow,sans-serif;" size="2">.I will be very grateful to you.<br>The bashrc is given below<br># .bashrc<br><br># User specific aliases and functions<br>
<br># Source global definitions<br>if [ -f /etc/bashrc ]; then<br> . /etc/bashrc<br>fi<br><br># User specific aliases and functions<br><br># export PATH=$PATH:/opt/intel/mkl/9.1.023/lib/32 bash<br>export PATH=$PATH:/opt/intel/Compiler/11.1/072/mkl/lib/32 bash<br>
# export PATH=$PATH:/opt/intel/fc/10.1.018/bin bash<br>export PATH=$PATH:/opt/intel/Compiler/11.1/072/bin/ia32 bash<br># export PATH=$PATH:/opt/intel/mkl/9.1.023/tools/environment bash<br>export PATH=$PATH:/opt/intel/Compiler/11.1/072/mkl/tools/environment bash<br>
# export PATH=$PATH:/opt/intel/idb/10.1.018/bin bash<br>export PATH=$PATH:/opt/intel/Compiler/11.1/072/idb/ia32/locale/en_US bash<br>export MANPATH=$MANPATH:/opt/intel/Compiler/11.1/072/man/en_US/man1 bash<br># export MANPATH=$MANPATH:/opt/intel/idb/10.1.018/man/man1 bash<br>
# export MANPATH=$MANPATH:/opt/intel/fc/10.1.018/man/man1 bash<br># export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/mkl/9.1.023/lib/32 bash<br>export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/Compiler/11.1/072/mkl/lib/32 bash<br>
# export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/fc/10.1.018/lib bash<br>export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/Compiler/11.1/072/idb/lib/ia32 bash<br># export INCLUDE=$INCLUDE:/opt/intel/mkl/9.1.023/include bash<br>
export INCLUDE=$INCLUDE:/opt/intel/Compiler/11.1/072/mkl/include bash<br># export INTEL_LICENCE_FILE=$INTEL_LICENCE_FILE:/opt/intel/fc/10.1.018/licenses/bin bash<br>export INTEL_LICENCE_FILE=$INTEL_LICENCE_FILE:/opt/intel/licenses bash<br>
# export IFLPATH=$IFLPATH:/opt/intel/fc/10.1.018/lib bash<br>export IFLPATH=$IFLPATH:/opt/intel/Compiler/11.1/072/idb/lib/ia32 bash<br># export MKLPATH=$MKLPATH:/opt/intel/mkl/9.1.023/lib/32 bash<br>export MKLPATH=$MKLPATH:/opt/intel/Compiler/11.1/072/mkl/lib/32 bash</font><br>
<br>last steps of compilation is<br><span style="color: rgb(204, 0, 0);"><br>ld: cannot find -lmkl</span><br style="color: rgb(204, 0, 0);"><span style="color: rgb(204, 0, 0);">make: *** [ncmsymmetry] Error 1</span><br><br>
SRC_structeditor/SRC_readwrite ...<br>rm -f module.o readwrite.o convert.o rwoctave.o *.mod readwrite<br>clean<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback module.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback readwrite.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback convert.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback rwoctave.f<br>/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<br>
<br>SRC_structeditor/SRC_struct2mol ...<br>rm -f *.o _tmp_.* *.P .real .complex *.mod struct2mol<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c reallocate.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c module.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c gtfnam.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c errflg.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c errclr.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c outerr.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c struct2mol.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c pdb.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c xtl.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c xyz.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c pov.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c dataexp.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c make_list_P.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c make_list_F.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c make_list_B.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c make_list_H.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c make_list_R.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c make_list_CXY.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c make_list_CXZ.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c make_list_CYZ.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c add2list.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c create_in.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c getelem.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback -c create_cf.f<br>
/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<br>
<br>SRC_structeditor/SRC_structgen ...<br>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<br>clean<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback module.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback spacegroup.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback getlattype.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback getsgnum.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback getsgname.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback getzz.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback structgen.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback scan_cif.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback ciftbx.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback hash_funcs.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback test_sgname.f<br>/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback scan_in.f<br>
/opt/intel/Compiler/11.1/072/bin/ia32/ifort -c -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -traceback scan_octave.f<br>/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<br>
Copying programs<br> SRC_afminput/afminput<br>WARNING: no executable found in SRC_aim. Check compile.msg in this directory<br> SRC_arrows/arrows<br> SRC_broadening/broadening<br> SRC_cif2struct/cif2struct<br> SRC_clmaddsub/clmaddsub<br>
SRC_clmcopy/clmcopy<br>WARNING: no executable found in SRC_dipan. Check compile.msg in this directory<br> SRC_dstart/dstart<br> SRC_eosfit/eosfit<br> SRC_eosfit6/eosfit6<br>WARNING: no executable found in SRC_filtvec. Check compile.msg in this directory<br>
SRC_initelnes/initelnes<br> SRC_initxspec/initxspec<br> SRC_irrep/irrep<br> SRC_joint/joint<br> SRC_kgen/kgen<br> SRC_kram/kram<br>WARNING: no executable found in SRC_lapw0. Check compile.msg in this directory<br>WARNING: no executable found in SRC_lapw1. Check compile.msg in this directory<br>
WARNING: no executable found in SRC_lapw2. Check compile.msg in this directory<br> SRC_lapw3/lapw3<br> SRC_lapw3/lapw3c<br> SRC_lapw5/lapw5<br> SRC_lapw5/lapw5c<br>WARNING: no executable found in SRC_lapw7. Check compile.msg in this directory<br>
WARNING: no executable found in SRC_lapwdm. Check compile.msg in this directory<br>WARNING: no executable found in SRC_lapwso. Check compile.msg in this directory<br> SRC_lcore/lcore<br> SRC_lorentz/lorentz<br> SRC_lstart/lstart<br>
WARNING: no executable found in SRC_mini. Check compile.msg in this directory<br>WARNING: no executable found in SRC_mixer. Check compile.msg in this directory<br> SRC_nn/nn<br> SRC_optic/optic<br> SRC_optic/opticc<br>
SRC_optimize/optimize<br> SRC_orb/orb<br>WARNING: no executable found in SRC_pairhess. Check compile.msg in this directory<br>WARNING: no executable found in SRC_qtl. Check compile.msg in this directory<br> SRC_reformat/reformat<br>
SRC_sgroup/sgroup<br> SRC_spacegroup/spacegroup<br> SRC_spaghetti/spaghetti<br> SRC_sumpara/sumpara<br> SRC_supercell/supercell<br> SRC_symmetry/symmetry<br> SRC_symmetso/symmetso<br> SRC_telnes2/telnes2<br> SRC_tetra/tetra<br>
SRC_txspec/txspec<br> SRC_w2web/w2web<br>cp: `SRC_w2web/w2web' and `/home/wien/wien2k/w2web' are the same file<br>WARNING: no executable found in SRC_structeditor/SRC_ncmsymmetry. Check compile.msg in this directory<br>
SRC_structeditor/SRC_readwrite/readwrite<br> SRC_structeditor/SRC_struct2mol/struct2mol<br> SRC_structeditor/SRC_structgen/structgen<br><br>done.<br><br>Compile time errors (if any) were:<br>SRC_aim/compile.msg:make[1]: *** [aim] Error 1<br>
SRC_aim/compile.msg:make: *** [real] Error 2<br>SRC_aim/compile.msg:make[1]: *** [aimc] Error 1<br>SRC_aim/compile.msg:make: *** [complex] Error 2<br>SRC_dipan/compile.msg:make: *** [dipan] Error 1<br>SRC_filtvec/compile.msg:make[1]: *** [filtvec] Error 1<br>
SRC_filtvec/compile.msg:make: *** [real] Error 2<br>SRC_filtvec/compile.msg:make[1]: *** [filtvecc] Error 1<br>SRC_filtvec/compile.msg:make: *** [complex] Error 2<br>SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error 1<br>SRC_lapw0/compile.msg:make: *** [seq] Error 2<br>
SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1<br>SRC_lapw1/compile.msg:make: *** [real] Error 2<br>SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1<br>SRC_lapw1/compile.msg:make: *** [complex] Error 2<br>SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1<br>
SRC_lapw2/compile.msg:make: *** [real] Error 2<br>SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1<br>SRC_lapw2/compile.msg:make: *** [complex] Error 2<br>SRC_lapw7/compile.msg:make[1]: *** [lapw7] Error 1<br>SRC_lapw7/compile.msg:make: *** [real] Error 2<br>
SRC_lapw7/compile.msg:make[1]: *** [lapw7c] Error 1<br>SRC_lapw7/compile.msg:make: *** [complex] Error 2<br>SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1<br>SRC_lapwdm/compile.msg:make: *** [real] Error 2<br>SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1<br>
SRC_lapwdm/compile.msg:make: *** [complex] Error 2<br>SRC_lapwso/compile.msg:make: *** [lapwso] Error 1<br>SRC_mini/compile.msg:make: *** [mini] Error 1<br>SRC_mixer/compile.msg:make: *** [mixer] Error 1<br>SRC_pairhess/compile.msg:make: *** [pairhess] Error 1<br>
SRC_qtl/compile.msg:make: *** [qtl] Error 1<br>SRC_structeditor/compile.msg:make[1]: *** [ncmsymmetry] Error 1<br>SRC_structeditor/compile.msg:make: *** [all] Error 2<br>SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1<br>
<br>With Kind Regards <br>Thanks<br clear="all"><br>SANJAY KUMAR SINGH<br>RESEARCH SCHOLAR <br>CONDENSED MATTER THEORY GROUP<br>SCHOOL OF STUDIES IN PHYSICS<br>JIWAJI UNIVERSITY<br>GWALIOR -474011 (M.P) INDIA<br>PHONE :0091-751-2442777 (OFFICE)<br>
FAX :0091-751-2442784.<br><br>