[Wien] compile errors in wien2k installation

bruce.tian brucetian8080 at gmail.com
Thu Jan 19 04:03:28 CET 2012


Dear Prof. Blaha and Gavin:

Thanks for your reply!

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.

My linux system is Ubuntu 10.04 LTS with 32 bit. I successfully compiled
wien2k 10 with Composerxe_2011 with version 12.01.

My compile options are as following:

Recommended options for system linuxifc are:
     Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback
     Linker Flags:            $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH)
-pthread
     Preprocessor flags:      '-DParallel'
     R_LIB (LAPACK+BLAS):     -lmkl_lapack95_lp64 -lmkl_intel_lp64
-lmkl_intel_thread -lmkl_core -openmp -lpthread

Current settings:
 O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback
 L   Linker Flags:            $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH)
-pthread
 P   Preprocessor flags       '-DParallel'
 R   R_LIB (LAPACK+BLAS):     -lmkl_lapack95 -lmkl_intel -lmkl_intel_thread
-lmkl_core -lpthread

The reported errors and warnings still are:

  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_vecpratt/compile.msg:make[1]: *** [vecpratt] Error 1
SRC_vecpratt/compile.msg:make: *** [real] Error 2
SRC_vecpratt/compile.msg:make[1]: *** [vecprattc] Error 1
SRC_vecpratt/compile.msg:make: *** [complex] Error 2
SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1

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_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_telnes3/telnes3
  SRC_tetra/tetra
  SRC_txspec/txspec
WARNING: no executable found in SRC_vecpratt. Check compile.msg in this
directory
  SRC_w2web/w2web
cp: `SRC_w2web/w2web' and `/home/tianfeng/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



Thanks!
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