[Wien] How to Specify Compiler

vishal jain vjain045 at gmail.com
Wed Apr 3 14:50:19 CEST 2013


Dear Sir
Please inform me how to specify the compiler

i used like

nrl at nrl-desktop:~$ siteconfig_lapw



   *********************************************************
   *                        W I E N                        *
   *                  site configuration                   *
   *********************************************************

      Last configuration: Wed Apr 3 17:42:52 IST 2013
                      Wien Version: WIEN2k_11.1 (Release 14/6/2011)
                      System: linuxgfortran


      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 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 ....
 I could not find the goto-library in /opt
 Please check whether gotolibrary is installed at all and where
 (You can download libgoto from
http://www.tacc.utexas.edu/tacc-projects/gotoblas2/
 Without gotolib you should install the ATLAS-blas or you must use the
blas_lapw
 library (performance loss)
Hit Enter to continue BLAS

Recommended options for system linuxgfortran are:
     Compiler options:        -ffree-form -O2
     Linker Flags:            $(FOPT) -L../SRC_lib -lpthread -static
     Preprocessor flags:      '-DParallel'
     R_LIB (LAPACK+BLAS):     -llapack_lapw -lgoto -llapack_lapw

Current settings:
 O   Compiler options:        -ffree-form -O2
 L   Linker Flags:            $(FOPT) -L../SRC_lib -lpthread -static
 P   Preprocessor flags       '-DParallel'
 R   R_LIB (LAPACK+BLAS):     llapack lapw -lblas lapw -llapack lapw -lblas
lapw

 S   Save and Quit
 Q   Quit abandon changes

     To change an item select option.

Selection: O
     Compiler options=BLAS and LAPACK

Recommended options for system linuxgfortran are:
     Compiler options:        -ffree-form -O2
     Linker Flags:            $(FOPT) -L../SRC_lib -lpthread -static
     Preprocessor flags:      '-DParallel'
     R_LIB (LAPACK+BLAS):     -llapack_lapw -lgoto -llapack_lapw

Current settings:
 O   Compiler options:        BLAS and LAPACK
 L   Linker Flags:            $(FOPT) -L../SRC_lib -lpthread -static
 P   Preprocessor flags       '-DParallel'
 R   R_LIB (LAPACK+BLAS):     llapack lapw -lblas lapw -llapack lapw -lblas
lapw

 S   Save and Quit
 Q   Quit abandon changes

     To change an item select option.

Selection: S

   *******************************
   *  Changing compiler options  *
   *******************************

    changing Makefile in SRC_lib/blas_lapw
    changing Makefile in SRC_lib/lapack_lapw
    No Makefile.orig in SRC_structeditor/SRC_lib, leaving directory.
    changing Makefile in SRC_structeditor/SRC_ncmsymmetry
    changing Makefile in SRC_structeditor/SRC_readwrite
    changing Makefile in SRC_structeditor/SRC_struct2mol
    changing Makefile in SRC_structeditor/SRC_structgen
    changing Makefile in SRC_2Doptimize
    changing Makefile in SRC_afminput
    changing Makefile in SRC_aim
    changing Makefile in SRC_arrows
    changing Makefile in SRC_balsac-utils
    changing Makefile in SRC_broadening
    changing Makefile in SRC_cif2struct
    changing Makefile in SRC_clmaddsub
    changing Makefile in SRC_clmcopy
    changing Makefile in SRC_dipan
    changing Makefile in SRC_dstart
    changing Makefile in SRC_elast
    changing Makefile in SRC_eosfit
    changing Makefile in SRC_eosfit6
    changing Makefile in SRC_filtvec
    changing Makefile in SRC_fsgen
    changing Makefile in SRC_initxspec
    changing Makefile in SRC_irrep
    changing Makefile in SRC_joint
    changing Makefile in SRC_kgen
    changing Makefile in SRC_kram
    changing Makefile in SRC_lapw0
    changing Makefile in SRC_lapw1
    changing Makefile in SRC_lapw2
    changing Makefile in SRC_lapw3
    changing Makefile in SRC_lapw5
    changing Makefile in SRC_lapw7
    changing Makefile in SRC_lapwdm
    changing Makefile in SRC_lapwso
    changing Makefile in SRC_lcore
    No Makefile.orig in SRC_lib, leaving directory.
    changing Makefile in SRC_lorentz
    changing Makefile in SRC_lstart
    changing Makefile in SRC_mini
    changing Makefile in SRC_mixer
    changing Makefile in SRC_nn
    changing Makefile in SRC_optic
    changing Makefile in SRC_optimize
    changing Makefile in SRC_orb
    changing Makefile in SRC_pairhess
    changing Makefile in SRC_phonon
    changing Makefile in SRC_qtl
    changing Makefile in SRC_reformat
    changing Makefile in SRC_sgroup
    changing Makefile in SRC_spacegroup
    changing Makefile in SRC_spaghetti
    No Makefile.orig in SRC_structeditor, leaving directory.
    changing Makefile in SRC_sumpara
    changing Makefile in SRC_supercell
    changing Makefile in SRC_symmetry
    changing Makefile in SRC_symmetso
    changing Makefile in SRC_telnes3
    No Makefile.orig in SRC_templates, leaving directory.
    changing Makefile in SRC_tetra
    changing Makefile in SRC_trig
    changing Makefile in SRC_txspec
    No Makefile.orig in SRC_usersguide_html, leaving directory.
    changing Makefile in SRC_vecpratt
    No Makefile.orig in SRC_w2web, leaving directory.

     Press RETURN to continue
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