Dear Prof. Blaha and Gavin:<br><br>Thanks for your reply!<br><br>In my .bashrc file there is ' source /opt/intel/composer_xe_2011_sp1.8.273/bin/compilervars.sh ia32' . When I install WIEN2k_11.1 which complains the variable {MKL_TARGET_ARCH} can not be found. So I added 'export MKL_TARGET_ARCH=ia32' in the .bashrc file. This time at the beginning of ./siteconfig_lapw wien2k can find the MKL_TARGET_ARCH. However when I compile the errors still come out as when MKL_TARGET_ARCH can not be found. <br>
<br>My linux system is Ubuntu 10.04 LTS with 32 bit. I successfully compiled wien2k 10 with Composerxe_2011 with version 12.01.<br><br>My compile options are as following:<br><br>Recommended options for system linuxifc are:<br>
Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback<br> Linker Flags: $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread<br> Preprocessor flags: '-DParallel'<br>
R_LIB (LAPACK+BLAS): -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread<br><br>Current settings:<br> O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback<br>
L Linker Flags: $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread<br> P Preprocessor flags '-DParallel'<br> R R_LIB (LAPACK+BLAS): -lmkl_lapack95 -lmkl_intel -lmkl_intel_thread -lmkl_core -lpthread<br>
<br>The reported errors and warnings still are:<br><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_vecpratt/compile.msg:make[1]: *** [vecpratt] Error 1<br>SRC_vecpratt/compile.msg:make: *** [real] Error 2<br>SRC_vecpratt/compile.msg:make[1]: *** [vecprattc] Error 1<br>
SRC_vecpratt/compile.msg:make: *** [complex] Error 2<br>SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1<br><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_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_telnes3/telnes3<br> SRC_tetra/tetra<br> SRC_txspec/txspec<br>WARNING: no executable found in SRC_vecpratt. Check compile.msg in this directory<br> SRC_w2web/w2web<br>
cp: `SRC_w2web/w2web' and `/home/tianfeng/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><br><br>Thanks!<br><br>