[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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