[Wien] How to do Site Configuration In Ubuntu 12.04

[Gavin Abo]

Try changing the Linker and R_LIB lines to:

Linker Flags:$(FOPT) -L/opt/intel/composerxe/mkl/lib/ia32 -pthread
R_LIB (LAPACK+BLAS):-lmkl_lapack95 -lmkl_intel -lmkl_intel_thread 
-lmkl_core -openmp -lpthread

On 4/4/2013 9:52 PM, vishal jain wrote:
> Dear Sir
>
> I found error on compiling (R=Compile and Recompile)
> .
>
> SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [module.o] 
> Error 127
> SRC_structeditor/SRC_readwrite/compile.msg:make: *** [module.o] Error 127
> SRC_structeditor/SRC_struct2mol/compile.msg:make: *** [reallocate.o] 
> Error 127
> SRC_structeditor/SRC_structgen/compile.msg:make: *** [module.o] Error 127
>
>
> In site configration i choose following comands
> S specify a system I choose I(ifort + MKL because i have installed  
> l_mkl_11.0.2.146 and l_fcompxe_2013.3.163)
> )
> C i choose ifort + cc
> O shown below how to define path
>
>
> *********************************************************
>    *                        W I E N *
>    *                  site configuration *
> *********************************************************
>
>       Last configuration: Fri Apr 5 09:14:26 IST 2013
>                       Wien Version: WIEN2k_12.1 (Release 22/7/2012)
>                       System: linuxifc
>
>
>       S   specify a system
>       C   specify compiler
>       O   specify compiler options, BLAS and LAPACK
>       P   configure Parallel execution
>       D   Dimension Parameters
>       R   Compile/Recompile
>       U   Update a package
>       L   Perl path (if not in /usr/bin/perl)
>       Q   Quit
>
>   Selection: O
>
>    ******************************
>    *  Specify compiler options  *
>    ******************************
>
> PLEASE NOTE: Best performance can be obtained with processor specific 
> options.
> Very important for speed-up is a 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 ....
>  I could not find the mkl-library because MKLROOT is not defined.
>  Please check whether mkl is installed at all and where
>  (mkl is included in new ifort versions, see www.intel.com 
> <http://www.intel.com> )
>  Without mkl you should install the GOTO-blas or you must use the 
> blas_lapw
>  library (performance loss)
> 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 -ip 
> -DINTEL_VML -traceback
>  L   Linker Flags:            $(FOPT) -pthread -static
>  P   Preprocessor flags       '-DParallel'
>  R   R_LIB (LAPACK+BLAS):     -lmkl_lapack95_ia32 -lmkl_intel_ia32 
> -lmkl_intel_thread -lmkl_core -openmp -lpthread
>
>  S   Save and Quit
>  Q   Quit abandon changes
>
>      To change an item select option.
>
> Selection:
>

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