[Wien] How to Specify Compiler

[pieper]

Dear vjain,

do what siteconfig tells you to do:

> 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)

If you have a working BLAS lib, do something that the linker is able to
find it (put in in /opt, place a link there, set linker options ...).

If you dont have a BLAS lib, get one.

On Wed, 3 Apr 2013 18:20:19 +0530, vishal jain <vjain045 at gmail.com> wrote:
> 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

-- 
Dr. Martin Pieper
Karl-Franzens University
Experimentalphysik
Universitätsplatz 5
A-8010 Graz
Austria
Tel. +43-316-380-8564