[Wien] wien2k serial installation

AJAY SINGH VERMA ajay_phy at hotmail.com
Tue Sep 25 15:43:53 CEST 2012


dear users,
please help me in the serial installation of the software by telling me that where i am wrong.
 as compilation shows undefined references to all libraries.
please help me.
Thanks in advance 
ajay


BASHRC CONSISTS OF 
source /opt/intel/composer_xe_2013.0.079/bin/ifortvars.sh ia32
source /opt/intel/composer_xe_2013.0.079/mkl/bin/ia32/mklvars_ia32.sh
alias ifort='/opt/intel/composer_xe_2013.0.079/bin/ia32/ifort'
alias mklvars_ia32.sh='/opt/intel/composer_xe_2013.0.079/mkl/bin/ia32/mklvars_ia32.sh'




 ******************************
   *  Specify compiler options  *
   ******************************

PLEASE NOTE: Best performance can be obtained with processor specific options. 
Very important for speed-up is a vendor optimized BLAS (like mkl, essl, ..),  
or at least the GOTO- or ATLAS-BLAS instead of the simple "-lblas_lapw"

For more info see  http://www.wien2k.at/reg_user/faq
searching ....
You have the following mkl libraries in /opt/intel/composer_xe_2013.0.079/mkl :
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_core.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_blacs_openmpi.a
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_scalapack_core.a
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_rt.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_avx.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_p4m.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_intel.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_blacs_intelmpi.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_gnu_thread.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_blacs_intelmpi.a
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_avx2.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_intel_thread.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_core.a
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_intel_thread.a
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_avx.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_p4p.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_intel.a
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_gf.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_scalapack_core.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_sequential.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_sequential.a
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_cmpt.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_ia.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_p4m3.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_p4.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_cdft_core.a
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_pgi_thread.a
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_p4m2.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_blacs.a
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_p4m3.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_gnu_thread.a
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_p4p.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_cdft_core.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_avx2.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_lapack95.a
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_pgi_thread.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_gf.a
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_blas95.a
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_p4m.so
/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_p4.so
On the next screen you must choose suitable mkl and lapack libraries
Hit Enter to continue 
Since intel changes the name of the mkl-libraries from version to version,
you may find the linking options for the most recent ifort version at
http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/

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 -align -DINTEL_VML -traceback
 L   Linker Flags:            $(FOPT) -L/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32 -pthread
 P   Preprocessor flags       '-DParallel'
 R   R_LIB (LAPACK+BLAS):     $(FOPT) -L/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32 -lmkl_core -lmkl_blacs_openmpi -lmkl_lapack95 -lpthread -lmkl_intel

 S   Save and Quit
 Q   Quit abandon changes

     To change an item select option.

 		 	   		  
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