[Wien] How to do Site Configuration In Ubuntu 12.04

[vishal jain]

I do as you mention but observed same error

SRC_sumhfpara/compile.msg:make: *** [complex] Error 2
SRC_sumpara/compile.msg:make: *** [errclr.o] Error 127
SRC_supercell/compile.msg:make: *** [supercell.o] Error 127
SRC_symmetry/compile.msg:make: *** [symmetry.o] Error 127
SRC_symmetso/compile.msg:make: *** [symmetso.o] Error 127
SRC_telnes3/compile.msg:make: *** [modules.o] Error 127
SRC_tetra/compile.msg:make: *** [reallocate.o] Error 127
SRC_trig/compile.msg:make: *** [rhomb_in5.o] Error 127
SRC_txspec/compile.msg:make: *** [reallocate.o] Error 127
SRC_vecpratt/compile.msg:make[1]: *** [vecpratt.o] Error 127
SRC_vecpratt/compile.msg:make: *** [real] Error 2
SRC_vecpratt/compile.msg:make[1]: *** [vecpratt.o] Error 127
SRC_vecpratt/compile.msg:make: *** [complex] Error 2
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  P   configure Parallel execution i choose

   **********************************
   *  Configure parallel execution  *
   **********************************

   These options are stored in   parallel_options  of WIENROOT
   You can change them later also manually.

   Do you use ONLY a shared memory parallel architecture (ONE single
multi-core
   node)  ?


   On shared memory system it is normally better to start jobs in the
   background rather than using remote commands. If you select a shared
memory
   system WIEN will by default not use remote shell commands
   (USE_REMOTE and MPI_REMOTE = 0 in parallel_options)
   and set the default granularity to 1.

   You still can override this default granularity in your .machines file.

   You may also set a specific TASKSET command to bind your executables
   to a specific core on multicore machines.
  Shared Memory Architecture? (y/n):y
  Do you know/need a command to bind your jobs to specific nodes ?
  (like taskset -c). Enter N / your_specific_command: n
  On most mpi-2 versions, it is better to start an mpijob on the original
machine
  and not via ssh on a remote system. If you are using mpi2 set MPI_REMOTE
to 0  Set MPI_REMOTE to 0 / 1: 0

   ********************************************************
   Do you have MPI and Scalapack installed and intend to run
   finegrained parallel? (This is usefull only for BIG cases
   (50 atoms and more / unit cell) and you need to know details
   about your installed  mpi and fftw )
   (y/n) n






On Fri, Apr 5, 2013 at 9:42 AM, Gavin Abo <gsabo at crimson.ua.edu> wrote:

>  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 )
>  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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>
>
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