[Wien] How to Specify Compiler

Wed Apr 3 16:33:49 CEST 2013

how can i put gotoBlas in /opt

On Wed, Apr 3, 2013 at 7:14 PM, pieper <pieper at ifp.tuwien.ac.at> wrote:

> 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
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
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