Respected Sir

Respected Sir,
During the installation of Wien2k_16 in CentOS- 7 operating system I use following procedure
Please go through it and give me suggestion for improvement. (*Command are in red latters and result
display is in black )
1. Create a folder in home derive in CentOS 7

2. paste the WIEN2k_16.tar file from penderive
3. open the folder in terminal window
use following commands
1. tar xf- WIEN2k_16.tar
2. gunzip *gz
3. chmod +x expand_lapw
4. ./expand_lapw
following result will display
tar -xf SRC_2DRoptimize.tar
tar -xf SRC_afminput.tar
tar -xf SRC_aim.tar
tar -xf SRC_arrows.tar
tar -xf SRC_balsac-utils.tar
tar -xf SRC_BerryPI.tar
tar -xf SRC_broadening.tar
tar -xf SRC_cif2struct.tar
tar -xf SRC_clmaddsub.tar
tar -xf SRC_clmcopy.tar
tar -xf SRC_dipan.tar
tar -xf SRC_dstart.tar
tar -xf SRC_elast.tar
tar -xf SRC_eosfit6.tar
tar -xf SRC_eosfit.tar
tar -xf SRC_filtvec.tar
tar -xf SRC_fsgen.tar
tar -xf SRC_Globals.tar
tar -xf SRC_hf.tar
tar -xf SRC_initxspec.tar
tar -xf SRC_IRelast.tar
tar -xf SRC_irrep.tar
tar -xf SRC_joint.tar
tar -xf SRC_kgen.tar
tar -xf SRC_kram.tar
tar -xf SRC_lapw0.tar
tar -xf SRC_lapwdm.tar
tar -xf SRC_lapwso.tar
tar -xf SRC_lcore.tar
tar -xf SRC_lib.tar
tar -xf SRC_lorentz.tar
tar -xf SRC_lstart.tar
tar -xf SRC_mini.tar
tar -xf SRC_mixer.tar
tar -xf SRC_nmr.tar
tar -xf SRC_nn.tar
tar -xf SRC_optic.tar
tar -xf SRC_optimize.tar
tar -xf SRC_orb.tar
tar -xf SRC_pairhess.tar
tar -xf SRC_phonon.tar
tar -xf SRC_qtl.tar
tar -xf SRC_reformat.tar
tar -xf SRC_sgroup.tar
tar -xf SRC_spacegroup.tar
tar -xf SRC_spaghetti.tar
tar -xf SRC_structeditor.tar
tar -xf SRC_sumhfpara.tar
tar -xf SRC_sumpara.tar
tar -xf SRC_supercell.tar
tar -xf SRC_symmetry.tar
tar -xf SRC_symmetso.tar
tar -xf SRC.tar
tar -xf SRC_telnes3.tar
tar -xf SRC_templates.tar
tar -xf SRC_tetra.tar
tar -xf SRC_Tmaker.tar
tar -xf SRC_trig.tar
tar -xf SRC_txspec.tar
tar -xf SRC_usersguide_html.tar
tar -xf SRC_vecpratt.tar
tar -xf SRC_w2web.tar
tar -xf SRC_w2w.tar
tar -xf SRC_wplot.tar
tar -xf example_struct_files.tar
SRC/100atomfix_clm_lapw copied and linked to 100atomfix_clm
SRC/100atomfix_in2_lapw copied and linked to 100atomfix_in2
SRC/100atomfix_lapw copied and linked to 100atomfix
SRC/100atomfix_struct_lapw copied and linked to 100atomfix_struct
SRC/addjoint-updn_lapw copied and linked to addjoint-updn
SRC/ana2D_lapw copied and linked to ana2D
SRC/ana_elast_lapw copied and linked to ana_elast
SRC/ana_elast_pressure_lapw copied and linked to ana_elast_pressure
SRC/analyse_lapw copied and linked to analyse
SRC/analyse_phonon_lapw copied and linked to analyse_phonon
SRC/bashtime2csh.pl_lapw copied and linked to bashtime2csh.pl
SRC/cancel_lapw copied and linked to cancel
SRC/Cgrace_conf_lapw copied and linked to Cgrace_conf
SRC/Cgrace_dos_lapw copied and linked to Cgrace_dos
SRC/Cgrace_lapw copied and linked to Cgrace
SRC/checkcomplex_lapw copied and linked to checkcomplex
SRC/checkinwplot_lapw copied and linked to checkinwplot
SRC/check_lapw copied and linked to check
SRC/Check-mixing_lapw copied and linked to Check-mixing
SRC/checkparam_lapw copied and linked to checkparam
SRC/clean_lapw copied and linked to clean
SRC/clmextrapol_lapw copied and linked to clmextrapol
SRC/configure_int_lapw copied and linked to configure_int
SRC/create_add_atom_clmsum_lapw copied and linked to create_add_atom_clmsum
SRC/current2dx_lapw copied and linked to current2dx
SRC/Curve_lapw copied and linked to Curve
SRC/dosplot2_lapw copied and linked to dosplot2
SRC/dosplot_all_lapw copied and linked to dosplot_all
SRC/dosplot_lapw copied and linked to dosplot
SRC/dstartpara_lapw copied and linked to dstartpara
SRC/elast_setup_input.pl_lapw copied and linked to elast_setup_input.pl
SRC/elast_setup_lapw copied and linked to elast_setup
SRC/elast_setup_pressure_lapw copied and linked to elast_setup_pressure
SRC/eplot2D_lapw copied and linked to eplot2D
SRC/eplot_lapw copied and linked to eplot
SRC/expand_lapw copied and linked to expand
SRC/extractaim_lapw copied and linked to extractaim
SRC/fixerror_lapw copied and linked to fixerror
SRC/fsgen_lapw copied and linked to fsgen
SRC/getdata_lapw copied and linked to getdata
SRC/gibbs_lapw copied and linked to gibbs
SRC/grepline_lapw copied and linked to grepline
SRC/help_lapw copied and linked to help
SRC/hfpara_lapw copied and linked to hfpara
SRC/iniel_pressure_in2reader.pl_lapw copied and linked to iniel_pressure_in2reader.pl
SRC/iniel_pressure_reader.pl_lapw copied and linked to iniel_pressure_reader.pl
SRC/init_elast_lapw copied and linked to init_elast
SRC/init_elast_pressure_lapw copied and linked to init_elast_pressure
SRC/init_hf_lapw copied and linked to init_hf
SRC/init_lapw copied and linked to init
SRC/init_mbj_lapw copied and linked to init_mbj
SRC/init_phonon_lapw copied and linked to init_phonon
SRC/initso_lapw copied and linked to initso
SRC/init_w2w_lapw copied and linked to init_w2w
SRC/instgen_lapw copied and linked to instgen
SRC/irreppara_lapw copied and linked to irreppara
SRC/joinvec_lapw copied and linked to joinvec
SRC/lapw0para_lapw copied and linked to lapw0para
SRC/lapwdmpara_lapw copied and linked to lapwdmpara
SRC/lapwsopara_lapw copied and linked to lapwsopara
SRC/make-diff-dir_lapw copied and linked to make-diff-dir
SRC/make_inso_lapw copied and linked to make_inso
SRC/makescratch_lapw copied and linked to makescratch
SRC/makestruct_lapw copied and linked to makestruct
SRC/migrate_lapw copied and linked to migrate
SRC/min_lapw copied and linked to min
SRC/oldvec2vec_lapw copied and linked to oldvec2vec
SRC/opticpara_lapw copied and linked to opticpara
SRC/opticplot_lapw copied and linked to opticplot
SRC/parabolfit_lapw copied and linked to parabolfit
SRC/parseline_lapw copied and linked to parseline
SRC/periodic_table_lapw copied and linked to periodic_table
SRC/prepare_w2wdir_lapw copied and linked to prepare_w2wdir
SRC/prepare_xsf_lapw copied and linked to prepare_xsf
SRC/qsub-job0-ll_lapw copied and linked to qsub-job0-ll
SRC/qsub-job0-sge_lapw copied and linked to qsub-job0-sge
SRC/qsub-wienjob_lapw copied and linked to qsub-wienjob
SRC/qtlpara_lapw copied and linked to qtlpara
SRC/reduce_rmt_lapw copied and linked to reduce_rmt
SRC/rename_files_lapw copied and linked to rename_files
SRC/restore_lapw copied and linked to restore
SRC/rhoplot_lapw copied and linked to rhoplot
SRC/runafm_lapw copied and linked to runafm
SRC/run_bandplothf_lapw copied and linked to run_bandplothf
SRC/runeece_lapw copied and linked to runeece
SRC/runfsm_lapw copied and linked to runfsm
SRC/run_kgenhf_lapw copied and linked to run_kgenhf
SRC/run_lapw copied and linked to run
SRC/runsp_c_lapw copied and linked to runsp_c
SRC/runsp_lapw copied and linked to runsp
SRC/run_vnonloc_lapw copied and linked to run_vnonloc
SRC/save_lapw copied and linked to save
SRC/scfmonitor_lapw copied and linked to scfmonitor
SRC/set2D_lapw copied and linked to set2D
SRC/setrmt_lapw copied and linked to setrmt
SRC/siteconfig_lapw copied and linked to siteconfig
SRC/specplot_lapw copied and linked to specplot
SRC/testcomplex_lapw copied and linked to testcomplex
SRC/testconv_lapw copied and linked to testconv
SRC/testpara1_lapw copied and linked to testpara1
SRC/testpara2_lapw copied and linked to testpara2
SRC/testpara_lapw copied and linked to testpara
SRC/update_all_lapw copied and linked to update_all
SRC/update_lapw copied and linked to update
SRC/update_rest_lapw copied and linked to update_rest
SRC/update_scf_lapw copied and linked to update_scf
SRC/userconfig_lapw copied and linked to userconfig
SRC/vec2old_lapw copied and linked to vec2old
SRC/vec2pratt_lapw copied and linked to vec2pratt
SRC/w2wpara_lapw copied and linked to w2wpara
SRC/wannier90_lapw copied and linked to wannier90
SRC/wplot2xsf_lapw copied and linked to wplot2xsf
SRC/wplotpara_lapw copied and linked to wplotpara
SRC/write_in1_lapw copied and linked to write_in1
SRC/write_inq_lapw copied and linked to write_inq
SRC/write_insp_lapw copied and linked to write_insp
SRC/write_inwf_lapw copied and linked to write_inwf
SRC/write_win_lapw copied and linked to write_win
SRC/x_lapw copied and linked to x
SRC/x_nmr_lapw copied and linked to x_nmr
SRC/xspec_lapw copied and linked to xspec
case.cf_d_eg_t2g linked to template.cf_d_eg_t2g
case.cf_d_mm2 linked to template.cf_d_mm2
case.cf_d_nonrel linked to template.cf_d_nonrel
case.cf_d_orbmoment linked to template.cf_d_orbmoment
case.cf_d_rel linked to template.cf_d_rel
case.cf_f_mm2 linked to template.cf_f_mm2
case.cf_f_nonrel linked to template.cf_f_nonrel
case.cf_f_rel linked to template.cf_f_rel
case.cf_p_cubic linked to template.cf_p_cubic
case.cf_p_nonrel linked to template.cf_p_nonrel
case.cf_p_rel linked to template.cf_p_rel
case.cf_s_rel linked to template.cf_s_rel
case.constraint linked to template.constraint
case.in0abp_bj linked to template.in0abp_bj
case.in0abp_new linked to template.in0abp_new
case.in0abp_orig linked to template.in0abp_orig
case.in0abp_sc linked to template.in0abp_sc
case.in5 linked to template.in5
case.in5c linked to template.in5c
case.in7 linked to template.in7
case.inaim linked to template.inaim
case.inaverx linked to template.inaverx
case.inb linked to template.inb
case.inclmcopy linked to template.inclmcopy
case.indftd3 linked to template.indftd3
case.indipan linked to template.indipan
case.indm linked to template.indm
case.indmftpr linked to template.indmftpr
case.ineece linked to template.ineece
case.inelastp1 linked to template.inelastp1
case.inhf linked to template.inhf
case.injoint linked to template.injoint
case.inkram linked to template.inkram
case.inM linked to template.inM
case.inm_vresp linked to template.inm_vresp
case.innes linked to template.innes
case.innlo_KK linked to template.innlo_KK
case.innlo_tet linked to template.innlo_tet
case.inop linked to template.inop
case.inorb linked to template.inorb
case.inq linked to template.inq
case.inso linked to template.inso
case.insp linked to template.insp
case.int linked to template.int
case.inwf linked to template.inwf
case.inwplot linked to template.inwplot
case.inxs linked to template.inxs
case.inxsf linked to template.inxsf
case.struct linked to template.struct
case.vorbdn_100T linked to template.vorbdn_100T
case.vorbup_100T linked to template.vorbup_100T
case.wfrot linked to template.wfrot
case.win linked to template.win
Traceback (most recent call last):
File "<string>", line 1, in <module>
ImportError: No module named numpy
NumPy-1.6.2 not found, instead you have:
BerryPI will not work with earlier versions and has been tested only with 1.6.2 and 1.9.2
configuring Berry-PI (config.py):
setting DEFAULT_BIN_PATH to /home/akash/Soft/SRC_BerryPI/BerryPI
and DEFAULT_PYTHON_PATH to /usr/bin/python2.7
WIEN is now expanded. The shell-script commands were copied and links created.
To configure your Fortran-executables run:
./siteconfig_lapw
write ./siteconfig_lapw in local host terminal
*********************************************************
* WIEN 2k *
* site configuration *
*********************************************************
This is the first time that you install WIEN2k on this

computer. Please follow the subsequent steps to set up
WIEN2k.
It seems you do not have the intel fortran compiler in your path.
You need a f90 compiler for the installation of WIEN2k and:
a) you have another f90 compiler installed and in your path. Continue ...
b) you have ifort installed, but it is not in your path.
STOP and put two lines like:
source /path_where_compiler_is_installed/ifortvars.(c)sh intel64|ia32
(source /path_where_compiler_is_installed/mklvars{em64t|32}.(c)sh) for earlier ifort versions
into your .bashrc | .cshrc startup file.
c) STOP and install ifort+mkl for your platform (or an alternate compiler)
continue or stop (c/s)

use command c
Following result display
*********************************************************
* WIEN *
*********************************************************
Last configuration: Wed Mar 8 22:24:42 IST 2017

Wien Version: WIEN2k_16.1 (Release 12/12/2016)
System: unknown
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:
press S
**********************
* Specify a system *
**********************
Current system is: unknown
I Linux (Intel ifort compiler (12.0 or later)+mkl (+intelmpi))

I1 Linux+SLURM-batchsystem (Intel ifort (12.0 or later)+mkl+intelmpi)
V Linux (gfortran compiler + OpenBlas)
not updated older options:

J Linux (Intel ifort 9 or 10 compiler + mkl 9.0 )
K Linux (Intel ifort 11.0 compiler + mkl )
K1 Linux (Intel ifort 11.1 compiler + mkl )
A AIX
G GENERIC (you have to define everything )
L Linux (PGI compiler) (not updated)
P Linux (Pathscale compiler) (not updated)
W Linux (G95 compiler + gotolib) (not updated)
S SGI (Origin) (not updated)
S1 SGI Altix 350/3000 with Intel 7.1 compiler) (not updated)
U SUN (not updated)
L1 Linux (Lahey LF97 compiler) (not updated)
M Mac (mac g4 + absoft compiler) (not updated)
Q Quit
use command V for (V Linux (gfortran compiler + OpenBlas))
Next command C
result
***********************
* Specify compilers *
***********************
Recommended setting for f90 compiler: gfortran

Current selection: gfortran
Your compiler: gfortran

Changing Compiler to gfortran
Recommended setting for C compiler: cc
Current selection: cc
Your compiler: cc
result display
Changing Compiler to cc :
Changing Compilers to gfortran and cc in:

SRC_2DRoptimize
SRC_afminput
SRC_aim
SRC_arrows
SRC_balsac-utils
SRC_broadening
SRC_cif2struct
SRC_clmaddsub
SRC_clmcopy
SRC_dipan
SRC_dstart
SRC_elast
SRC_eosfit
SRC_eosfit6
SRC_filtvec
SRC_fsgen
SRC_hf
SRC_initxspec
SRC_IRelast
SRC_irrep
SRC_joint
SRC_kgen
SRC_kram
SRC_lapw0
SRC_lapw1
SRC_lapw2
SRC_lapw3
SRC_lapw5
SRC_lapw7
SRC_lapwdm
SRC_lapwso
SRC_lcore
SRC_lorentz
SRC_lstart
SRC_mini
SRC_mixer
SRC_nmr
SRC_nn
SRC_optic
SRC_optimize
SRC_orb
SRC_pairhess
SRC_phonon
SRC_qtl
SRC_reformat
SRC_sgroup
SRC_spacegroup
SRC_spaghetti
SRC_sumhfpara
SRC_sumpara
SRC_supercell
SRC_symmetry
SRC_symmetso
SRC_telnes3
SRC_tetra
SRC_Tmaker
SRC_trig
SRC_txspec
SRC_vecpratt
SRC_w2w
SRC_wplot
SRC_lib/blas_lapw
SRC_lib/lapack_lapw
SRC_structeditor/SRC_ncmsymmetry
SRC_structeditor/SRC_readwrite
SRC_structeditor/SRC_struct2mol
SRC_structeditor/SRC_structgen
Your Fortran compiler will be gfortran.

Your C compiler will be cc.
Press RETURN to continue

*********************************************************
* WIEN *
*********************************************************

System: unknown
S specify a system
C specify compiler
R Compile/Recompile
U Update a package
Q Quit
Selection:
Now press O in site configuration site
******************************
* Specify compiler options *
******************************
PLEASE NOTE: Best performance can be obtained with processor specific options.
Very important for speed-up is an optimized BLAS (like mkl, OpenBlas, essl, ..)
instead of the simple "-lblas_lapw"
For more info see http://www.wien2k.at/reg_user/faq

searching ....
I could not find the OpenBlas-library
Please check whether OpenBlas is installed at all and where
(Many Linux versions include OpenBlas, or you can download it from http://www.openblas.net)
Without OpenBlas you must use the blas_lapw library in SRC_lib
(large performance loss)
Hit Enter to continue
again Enter
Recommended options for system linuxgfortran are:
Compiler options: -ffree-form -O2 -ffree-line-length-none
Linker Flags: $(FOPT) -L../SRC_lib
Preprocessor flags: '-DParallel'
R_LIB (LAPACK+BLAS): -lopenblas -llapack
Current settings:
O Compiler options: -ffree-form -O2 -ffree-line-length-none
F FFTW options:
X LIBX options:
E ELPA options:
L Linker Flags: $(FOPT) -L../SRC_lib
P Preprocessor flags '-DParallel'
R R_LIB (LAPACK+BLAS): -lopenblas -llapack
FL FFTW_LIBS:
XL LIBXC_LIBS:
EL ELPA_LIBS:
S Save and Quit
Q Quit and abandon changes
To change an item select option.
Selection: press 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_2DRoptimize
changing Makefile in SRC_afminput
changing Makefile in SRC_aim
changing Makefile in SRC_arrows
changing Makefile in SRC_balsac-utils
No Makefile.orig in SRC_BerryPI, leaving directory.
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
No Makefile.orig in SRC_Globals, leaving directory.
changing Makefile in SRC_hf
changing Makefile in SRC_initxspec
changing Makefile in SRC_IRelast
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_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_nmr
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_sumhfpara
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_Tmaker
changing Makefile in SRC_trig
changing Makefile in SRC_txspec
No Makefile.orig in SRC_usersguide_html, leaving directory.
changing Makefile in SRC_vecpratt
changing Makefile in SRC_w2w
No Makefile.orig in SRC_w2web, leaving directory.
changing Makefile in SRC_wplot
*********************************************************
* WIEN *
*********************************************************

System: unknown
S specify a system
C specify compiler
R Compile/Recompile
U Update a package
Q Quit
Selection:
Again site configuration site press P result display
**********************************
* Configure parallel execution *
**********************************
These options are stored in parallel_options of WIENROOT

You can change them later also manually.
If you have only ONE multi-core node (ONE 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.
If you have A CLUSTER OF shared memory parallel computers answer next question with N
Shared Memory Architecture? (y/N): n
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: 1
**********************************
* Configure parallel execution *
**********************************
Parallel execution makes use of remote shells.

On most computers these are named "rsh or ssh". .
Please specify the name of the remote shell command:
On linuxgfortran systems the remote shell normally is ssh,

which will be used as default.
Remote shell (default is ssh) =
********************************************************
Do you have MPI, Scalapack, ELPA, and FFTW installed and intend to run
finegrained parallel?
This is useful only for BIG cases (50 atoms and more / unit cell)
and your HARDWARE has at least 16 cores (or is a cluster with Infiniband)
You need to KNOW details about your installed MPI, ELPA, and FFTW )
(y/n) n
*********************************************************
* WIEN *
*********************************************************

System: unknown
S specify a system
C specify compiler
R Compile/Recompile
U Update a package
Q Quit
Selection:
press R on site configuration site then result display
************************************
* Compile/Recompile programs *
************************************
A Compile all programs (suggested)

S Select program
Q Quit
Selection: a
rm -f *.o *.list *.prj ../libblas_lapw.a
gfortran -c ffree-form -O2 -ffree-line-length-none blas_lapw1.f
make: gfortran: Command not found
make: *** [../libblas_lapw.a(blas_lapw1.o)] Error 127
rm -f *.o *.list *.prj ../liblapack_lapw.a
gfortran -c ffree-form -O2 -ffree-line-length-none lapack_lapw1.f
make: *** [../liblapack_lapw.a(lapack_lapw1.o)] Error 127
SRC_2DRoptimize ...
rm -f *.o
clean
gfortran ffree-form -O2 -ffree-line-length-none -c fminenefitCOA.f
make: *** [fminenefitCOA.o] Error 127
SRC_afminput ...
rm -f afminput.o afminput.P afminput.prj \
afminput.xref
gfortran ffree-form -O2 -ffree-line-length-none -c afminput.f
make: *** [afminput.o] Error 127
SRC_aim ...
rm -f *.o _tmp_.* *.P .real .complex *~ *.mod
if [ -f .complex ]; then \
make clean; \
fi
touch .real
make TYPE='REAL' TYPE_COMMENT='!_REAL' ./aim
make[1]: Entering directory `/home/akash/Soft/SRC_aim'
moduls.frc: REAL version extracted
gfortran ffree-form -O2 -ffree-line-length-none -c moduls_tmp.f
make[1]: gfortran: Command not found
make[1]: *** [moduls.o] Error 127
make[1]: Leaving directory `/home/akash/Soft/SRC_aim'
make: *** [real] Error 2
if [ -f .real ]; then \
make clean; \
fi
touch .complex
make TYPE='COMPLEX' TYPE_COMMENT='!_COMPLEX' ./aimc
moduls.frc: COMPLEX version extracted
gfortran ffree-form -O2 -ffree-line-length-none -c moduls_tmp.f
make: *** [complex] Error 2
SRC_arrows ...
rm -f gtfnam.o arrows.o rotdef.o outerr.o \
arrows.xref *.mod
gfortran ffree-form -O2 -ffree-line-length-none -c gtfnam.f
make: *** [gtfnam.o] Error 127
SRC_balsac-utils ...
rm -f *.o
clean
gfortran ffree-form -O2 -ffree-line-length-none -c outnn2plt.f
make: *** [outnn2plt.o] Error 127
SRC_BerryPI ...
make: *** No rule to make target `clean'. Stop.
make: *** No targets specified and no makefile found. Stop.
SRC_broadening ...
rm -f broadening.o gtfnam.o outerr.o errclr.o errflg.o corebroadening.o valencebroadening.o
spectrobroadening.o broadening.P gtfnam.P outerr.P errclr.P errflg.P corebroadening.P
valencebroadening.P spectrobroadening.P broadening
gfortran ffree-form -O2 -ffree-line-length-none -c -o broadening.o broadening.f
make: *** [broadening.o] Error 127
SRC_cif2struct ...
rm -f module.o spacegroup.o getlattype.o getsgnum.o getsgname.o getzz.o structgen.o scan_cif.o
ciftbx.o hash_funcs.o test_sgname.o scan_in.o *.mod
clean
gfortran -c ffree-form -O2 -ffree-line-length-none module.f
make: *** [module.o] Error 127
SRC_clmaddsub ...
rm -f clmaddsub.o gtfnam.o errflg.o outerr.o errclr.o
gfortran ffree-form -O2 -ffree-line-length-none -c clmaddsub.f
make: *** [clmaddsub.o] Error 127
SRC_clmcopy ...
rm -f clmcopy.o modules.o reallocate.o struct_afm_check.o readstruct.o writestruct.o outerr.o *.mod
gfortran ffree-form -O2 -ffree-line-length-none -c clmcopy.f
make: *** [clmcopy.o] Error 127
SRC_dipan ...
rm -f dipan.o dipan.P dipan.prj \
dipan.xref *.mod
gfortran ffree-form -O2 -ffree-line-length-none -c dipan.f
make: *** [dipan.o] Error 127
SRC_dstart ...
rm -f *.o *_tmp_.* *.P .sequential .parallel *.mod
if [ -f .parallel ]; then \
rm -f .parallel module.o W2kinit.o atom_read.o dstart.o gtfnam.o init.o make_inter.o make_spheres.o
old_dstart.o *.mod; \
fi
touch .sequential
make dstart FORT=gfortran FFLAGS=' ffree-form -O2 -ffree-line-length-none '
make[1]: Entering directory `/home/akash/Soft/SRC_dstart'
gfortran ffree-form -O2 -ffree-line-length-none -c module.F
make[1]: *** [module.o] Error 127
make[1]: Leaving directory `/home/akash/Soft/SRC_dstart'
make: *** [seq] Error 2
make: *** No rule to make target `complex'. Stop.
SRC_elast ...
rm -f *.o
clean
gfortran ffree-form -O2 -ffree-line-length-none -c genetempl.f
make: *** [genetempl.o] Error 127
SRC_eosfit ...
rm -f eosfit *.o
clean
gfortran ffree-form -O2 -ffree-line-length-none -c eosfit.f
make: *** [eosfit.o] Error 127
SRC_eosfit6 ...
rm -f eosfit6 *.o
clean
gfortran ffree-form -O2 -ffree-line-length-none -c eosfit6.f
make: *** [eosfit6.o] Error 127
SRC_filtvec ...
rm -f *.o _tmp_.* *.P .real .complex
make clean; \
fi
touch .real
cp -p param.inc_r param.inc
make TYPE='REAL' TYPE_COMMENT='!_REAL' ./filtvec
make[1]: Entering directory `/home/akash/Soft/SRC_filtvec'
gfortran ffree-form -O2 -ffree-line-length-none -c filtvec.f
make[1]: *** [filtvec.o] Error 127
make[1]: Leaving directory `/home/akash/Soft/SRC_filtvec'
make clean; \
fi
rm -f *.o _tmp_.* *.P .real .complex
touch .complex
cp -p param.inc_c param.inc
make TYPE='COMPLEX' TYPE_COMMENT='!_COMPLEX' ./filtvecc
gfortran ffree-form -O2 -ffree-line-length-none -c filtvec.f
make[1]: *** [filtvec.o] Error 127
SRC_fsgen ...
rm -f *.o
clean
gfortran ffree-form -O2 -ffree-line-length-none -c bcc_fs_mesh.f
make: *** [bcc_fs_mesh.o] Error 127
SRC_Globals ...
SRC_hf ...
rm -f *.o *_tmp_.* *.P .real .complex .sequential .parallel *.mod
rm -f .complex modules.o add_hvxhfvc.o add_hvxsl_int.o add_hvxsl_sph.o add_vklioldvv_int.o
calc_abc_hf.o calc_abc_sl.o calc_cnk.o calc_exhfvv.o calc_h_1.o calc_h_2.o calc_klivv.o
calc_overlap_sph.o calc_rhovalvxsl.o calc_slatervv.o calc_theta.o getfft.o lomain.o make_alms.o
read_cnk.o setfft.o stern.o *.mod; \
fi
touch .real
rm -f .parallel modules.o W2kinit.o add_hvxhfvc.o add_hvxsl_int.o add_hvxsl_sph.o calc_exhfvc.o
calc_exhfvv.o calc_h_1.o calc_h_2.o calc_klivv.o calc_slatervv.o gtfnam.o outerr.o *.mod; \
fi
touch .sequential
make TYPE='REAL' TYPE_COMMENT='\!_REAL' \
./hf FORT=gfortran FFLAGS=' ffree-form -O2 -ffree-line-length-none '
make[1]: Entering directory `/home/akash/Soft/SRC_hf'
modules.F: REAL version extracted
gfortran ffree-form -O2 -ffree-line-length-none -c modules_tmp_.F
make[1]: *** [modules.o] Error 127
make[1]: Leaving directory `/home/akash/Soft/SRC_hf'
rm -f .real modules.o add_hvxhfvc.o add_hvxsl_int.o add_hvxsl_sph.o add_vklioldvv_int.o
calc_abc_hf.o calc_abc_sl.o calc_cnk.o calc_exhfvv.o calc_h_1.o calc_h_2.o calc_klivv.o
calc_overlap_sph.o calc_rhovalvxsl.o calc_slatervv.o calc_theta.o getfft.o lomain.o make_alms.o
read_cnk.o setfft.o stern.o *.mod; \
fi
touch .complex
rm -f .parallel modules.o W2kinit.o add_hvxhfvc.o add_hvxsl_int.o add_hvxsl_sph.o calc_exhfvc.o
calc_exhfvv.o calc_h_1.o calc_h_2.o calc_klivv.o calc_slatervv.o gtfnam.o outerr.o *.mod; \
fi
touch .sequential
make TYPE='COMPLEX' TYPE_COMMENT='\!_COMPLEX' \
./hfc FORT=gfortran FFLAGS=' ffree-form -O2 -ffree-line-length-none '
make[1]: Entering directory `/home/akash/Soft/SRC_hf'
modules.F: COMPLEX version extracted
make[1]: Leaving directory `/home/akash/Soft/SRC_hf'
SRC_initxspec ...
rm -f initxspec.o gtfnam.o strln.o errclr.o errflg.o outerr.o initxspec.P gtfnam.P strln.P errclr.P
errflg.P outerr.P initxspec.prj gtfnam.prj strln.prj errclr.prj errflg.prj outerr.prj \
initxspec.xref
gfortran ffree-form -O2 -ffree-line-length-none -c initxspec.f
make: *** [initxspec.o] Error 127
SRC_IRelast ...
rm -f *.o
clean
gfortran ffree-form -O2 -ffree-line-length-none -c C_setupc1112.f
make: *** [C_setupc1112.o] Error 127
SRC_irrep ...
rm -f felder.o chrct.o classe.o cputim.o crwcnd.o dprodci.o errclr.o errflg.o eulang.o gtfnam.o
init.o invmat.o invmati.o kgroup.o kptin.o matmm2.o mdfpg.o latgen2.o opnfs.o pntgrp.o
raxis.o rotkv.o rmprop.o su2op.o trsyma.o trsymb.o wrtir.o irrep.o wrtdate.o felder.P chrct.P
classe.P cputim.P crwcnd.P dprodci.P errclr.P errflg.P eulang.P gtfnam.P init.P invmat.P invmati.P
kgroup.P kptin.P matmm2.P mdfpg.P latgen2.P opnfs.P pntgrp.P raxis.P rotkv.P rmprop.P su2op.P
trsyma.P trsymb.P wrtir.P irrep.P wrtdate.P chrct.prj classe.prj cputim.prj crwcnd.prj dprodci.prj
errclr.prj errflg.prj eulang.prj gtfnam.prj init.prj invmat.prj invmati.prj kgroup.prj kptin.prj matmm2.prj
mdfpg.prj latgen2.prj opnfs.prj pntgrp.prj raxis.prj rotkv.prj rmprop.prj su2op.prj trsyma.prj trsymb.prj
wrtir.prj irrep.prj wrtdate.prj felder.prj \
irrep .xref *.mod
gfortran ffree-form -O2 -ffree-line-length-none -c felder.f
make: *** [felder.o] Error 127
SRC_joint ...
rm -f felder.o arbdos.o arbdosx.o cputim.o dich1.o dich2.o drude.o dumm.o errclr.o errflg.o filename.o
gtfnam.o invmat.o joint.o latgen.o noculc.o noculcx.o opt1.o opt1x.o outerr.o readop.o read_diag.o
readopx.o rotdef.o rstru.o felder.P arbdos.P arbdosx.P cputim.P dich1.P dich2.P drude.P dumm.P
errclr.P errflg.P filename.P gtfnam.P invmat.P joint.P latgen.P noculc.P noculcx.P opt1.P opt1x.P
outerr.P readop.P read_diag.P readopx.P rotdef.P rstru.P arbdos.prj arbdosx.prj cputim.prj dich1.prj
dich2.prj drude.prj dumm.prj errclr.prj errflg.prj filename.prj gtfnam.prj invmat.prj joint.prj latgen.prj
noculc.prj noculcx.prj opt1.prj opt1x.prj outerr.prj readop.prj read_diag.prj readopx.prj rotdef.prj
rstru.prj felder.prj \
joint .xref *.mod
gfortran ffree-form -O2 -ffree-line-length-none -c felder.f
make: *** [felder.o] Error 127
SRC_kgen ...
rm -f main.o sdefl.o matmm.o sdef.o groups.o bravai.o arbmsh.o basdiv.o reduz.o zuord.o tetdiv.o
tetcnt.o ord1.o indexx.o gbass.o def0.o drval.o initi.o initdr.o divisi.o addinv.o create_filehf.o main.P
sdefl.P matmm.P sdef.P groups.P bravai.P arbmsh.P basdiv.P reduz.P zuord.P tetdiv.P tetcnt.P ord1.P
indexx.P gbass.P def0.P drval.P initi.P initdr.P divisi.P addinv.P create_filehf.P main.prj sdefl.prj
matmm.prj sdef.prj groups.prj bravai.prj arbmsh.prj basdiv.prj reduz.prj zuord.prj tetdiv.prj tetcnt.prj
ord1.prj indexx.prj gbass.prj def0.prj drval.prj initi.prj initdr.prj divisi.prj addinv.prj create_filehf.prj \
kgen.xref
gfortran ffree-form -O2 -ffree-line-length-none -c main.f
make: *** [main.o] Error 127
SRC_kram ...
rm -f drude.o kram.o eshift.o green.o green_reg.o gtfnam.o losmo.o losmo1.o losmo2.o drude.P
kram.P eshift.P green.P green_reg.P gtfnam.P losmo.P losmo1.P losmo2.P drude.prj kram.prj eshift.prj
green.prj green_reg.prj gtfnam.prj losmo.prj losmo1.prj losmo2.prj \
kram .xref
gfortran ffree-form -O2 -ffree-line-length-none -c drude.f
make: *** [drude.o] Error 127
SRC_lapw0 ...
rm -f .parallel modules.o W2kinit.o fft_modules.o reallocate.o energy.o getff1.o getfft.o gtfnam.o
lapw0.o outerr.o rean0.o rean3.o rean4.o setff1.o setff2.o setfft.o xcpot1.o xcpot3.o eramps.o *.mod; \
fi
touch .sequential
make ./lapw0 FORT=gfortran FFLAGS=' ffree-form -O2 -ffree-line-length-none '
make[1]: Entering directory `/home/akash/Soft/SRC_lapw0'
gcc -c cputim.c
make[1]: gcc: Command not found
make[1]: *** [cputim.o] Error 127
make[1]: Leaving directory `/home/akash/Soft/SRC_lapw0'
SRC_lapw1 ...
rm -f .complex calkpt.o hamilt.o hns.o horb.o modules.o seclit.o seclr4.o seclr5.o tapewf.o ustphx.o
wfpnt.o wfpnt1.o jacdavblock.o stern.o warpin.o setwar.o par_syrk.o seclit_par.o *.mod; \
fi
touch .real
rm -f .parallel calkpt.o find_nloat.o gtfnam.o hamilt.o hldau.o hns.o modules.o pdsyevx17.o
pdstebz17.o prtkpt.o pzheevx16.o seclit.o seclr4.o seclr5.o inikpt.o inilpw.o lapw1.o setkpt.o
par_syrk.o make_albl.o jacdavblock.o seclit_par.o pdgetri_my.o pzgetri_my.o W2kinit.o pdgetrf_my.o
pzgetrf_my.o *.mod; \
fi
touch .sequential
./lapw1 FORT=gfortran FFLAGS=' ffree-form -O2 -ffree-line-length-none '
rm -f .real calkpt.o hamilt.o hns.o horb.o modules.o seclit.o seclr4.o seclr5.o tapewf.o ustphx.o
wfpnt.o wfpnt1.o jacdavblock.o stern.o warpin.o setwar.o par_syrk.o seclit_par.o *.mod; \
fi
touch .complex
rm -f .parallel calkpt.o find_nloat.o gtfnam.o hamilt.o hldau.o hns.o modules.o pdsyevx17.o
pdstebz17.o prtkpt.o pzheevx16.o seclit.o seclr4.o seclr5.o inikpt.o inilpw.o lapw1.o setkpt.o
par_syrk.o make_albl.o jacdavblock.o seclit_par.o pdgetri_my.o pzgetri_my.o W2kinit.o pdgetrf_my.o
pzgetrf_my.o *.mod; \
fi
touch .sequential
./lapw1c FORT=gfortran FFLAGS=' ffree-form -O2 -ffree-line-length-none '
SRC_lapw2 ...
rm -f .complex essl.o fourir.o fsumai1.o getfft.o l2main.o lapw2.o modules.o qdmft.o read_vec.o
recpr.o setfft1.o setfft2.o stern.o *.mod; \
fi
touch .real
rm -f .parallel atpar.o fermi5.o fermi.o fourir.o fsumai1.o gtfnam.o l2main.o lapw2.o modules.o
qdmft.o read_vec.o W2kinit.o *.mod; \
fi
touch .sequential
./lapw2 FORT=gfortran FFLAGS=' ffree-form -O2 -ffree-line-length-none '
rm -f .real essl.o fourir.o fsumai1.o getfft.o l2main.o lapw2.o modules.o qdmft.o read_vec.o recpr.o
setfft1.o setfft2.o stern.o *.mod; \
fi
touch .complex
rm -f .parallel atpar.o fermi5.o fermi.o fourir.o fsumai1.o gtfnam.o l2main.o lapw2.o modules.o
qdmft.o read_vec.o W2kinit.o *.mod; \
fi
touch .sequential
./lapw2c FORT=gfortran FFLAGS=' ffree-form -O2 -ffree-line-length-none '
SRC_lapw3 ...
rm -f *.o _tmp_.* *.P .real .complex *.mod
make clean; \
fi
touch .real
make TYPE='REAL' TYPE_COMMENT='!_REAL' ./lapw3
gfortran ffree-form -O2 -ffree-line-length-none -c atomgrid.f
make[1]: *** [atomgrid.o] Error 127
make clean; \
fi
touch .complex
make TYPE='COMPLEX' TYPE_COMMENT='!_COMPLEX' ./lapw3c
gfortran ffree-form -O2 -ffree-line-length-none -c atomgrid.f
make[1]: *** [atomgrid.o] Error 127
SRC_lapw5 ...
make clean; \
fi
touch .real
make[1]: Circular modules.o <- modules.o dependency dropped.
make clean; \
fi
touch .complex
SRC_lapw7 ...
rm -f *.o *.mod _tmp_.* *.P .real .complex
make clean; \
fi
touch .real
gfortran ffree-form -O2 -ffree-line-length-none -c moduls.f
make clean; \
fi
rm -f *.o *.mod _tmp_.* *.P .real .complex
touch .complex
gfortran ffree-form -O2 -ffree-line-length-none -c moduls.f
SRC_lapwdm ...
make clean; \
fi
touch .real
make TYPE='REAL' TYPE_COMMENT='!_REAL' ./lapwdm
make[1]: Entering directory `/home/akash/Soft/SRC_lapwdm'
gfortran ffree-form -O2 -ffree-line-length-none -c reallocate.f
make[1]: *** [reallocate.o] Error 127
make[1]: Leaving directory `/home/akash/Soft/SRC_lapwdm'
make clean; \
fi
touch .complex
make TYPE='COMPLEX' TYPE_COMMENT='!_COMPLEX' ./lapwdmc
SRC_lapwso ...
rm -f *.o _tmp_.* *.P .real .complex .sequential .parallel *.mod
rm -f .parallel reallocate.o modules.o abclm.o couple.o errclr.o errflg.o garadme.o gtfnam.o
harmon2.o atpar.o hmsec.o init.o kptin_nv.o kptin.o latgen2.o outwin.o rint13.o lapwso.o
cali.o sphbes.o vnsrint.o lomain.o abc.o cputim.o dvbes1.o bess.o lagder.o rotate.o ylm.o
harmon.o sphbru.o outerr.o lap_bp.o inouh.o diracout.o inth.o select.o abc_r.o rlomain.o
kptout.o angle.o gaunt.o ph.o t3j.o t3j0.o pzheevx16.o dergl.o hscalc.o dergl2.o vderiv.o rotdef.o
symop.o garadorb.o hns.o hsocalc.o horbcalc.o vorblo.o euler.o get_nloat.o *.mod; \
fi
touch .sequential
make ./lapwso FORT=gfortran FFLAGS=' ffree-form -O2 -ffree-line-length-none '
make[1]: Entering directory `/home/akash/Soft/SRC_lapwso'
make[1]: Leaving directory `/home/akash/Soft/SRC_lapwso'
SRC_lcore ...
rm -f *.o *_tmp_.* *.P *.mod
gfortran ffree-form -O2 -ffree-line-length-none -c -o W2kinit.o W2kinit.F
make: *** [W2kinit.o] Error 127
SRC_lib ...
SRC_lorentz ...
rm -f lorentz.o gtfnam.o outerr.o errclr.o errflg.o lorentz.P gtfnam.P outerr.P errclr.P errflg.P
lorentz.prj gtfnam.prj outerr.prj errclr.prj errflg.prj \
lorentz.xref
gfortran ffree-form -O2 -ffree-line-length-none -c lorentz.f
make: *** [lorentz.o] Error 127
SRC_lstart ...
rm -f cdlsd.o corgga.o corlsd.o dalp.o epsxc.o exch.o fpot.o gcor.o gea.o geaex.o hl1.o hle1.o
inouh.o insld.o inth.o drho.o potsl.o resld.o sevald.o somm.o vxcsp.o ykdir.o grans.o lstart.o
spline.o vpw91.o vxclm2.o vxcpw2.o ev92.o ev92ex.o vxc24.o vxc15.o write1.o parse.o vxc17.o
exch17.o pbe1.o watsonw.o wc05.o pbesol.o cdlsd.P corgga.P corlsd.P dalp.P epsxc.P exch.P fpot.P
gcor.P gea.P geaex.P hl1.P hle1.P inouh.P insld.P inth.P drho.P potsl.P resld.P sevald.P somm.P vxcsp.P
ykdir.P grans.P lstart.P spline.P vpw91.P vxclm2.P vxcpw2.P ev92.P ev92ex.P vxc24.P vxc15.P
write1.P parse.P vxc17.P exch17.P pbe1.P watsonw.P wc05.P pbesol.P cdlsd.prj corgga.prj corlsd.prj
dalp.prj epsxc.prj exch.prj fpot.prj gcor.prj gea.prj geaex.prj hl1.prj hle1.prj inouh.prj insld.prj inth.prj
drho.prj potsl.prj resld.prj sevald.prj somm.prj vxcsp.prj ykdir.prj grans.prj lstart.prj spline.prj
vpw91.prj vxclm2.prj vxcpw2.prj ev92.prj ev92ex.prj vxc24.prj vxc15.prj write1.prj parse.prj
vxc17.prj exch17.prj pbe1.prj watsonw.prj wc05.prj pbesol.prj \
lstart.xref
gfortran ffree-form -O2 -ffree-line-length-none -c cdlsd.f
make: *** [cdlsd.o] Error 127
SRC_mini ...
rm -f atomgrid.o mxpmgrid.o dfpmin.o errclr.o errflg.o finish.o func.o gbass.o gtfnam.o haupt.o
ininos.o inv.o latgen.o lnsrch.o maxstp.o mini.o mold0.o mold.o nn.o nose.o nose0.o
nwtmin.o outerr.o pairdis.o rotate.o rotdef.o wrtscf.o latmix.o distxy.o mdble.o d1mach.o ditsum.o
dr7mdc.o dv7cpy.o i7mdcn.o divset.o drldst.o dv7dfl.o dl7itv.o drmng.o dv7scp.o stopx.o
dl7ivm.o dv7vmp.o dl7tvm.o drmngwien.o dw7zbf.o da7sst.o dl7upd.o func2.o dd7dog.o dl7vml.o
dv2axy.o traptouch.o dd7tpr.o dparck.o dv2nrm.o constr.o fixup2.o atomgrid.P mxpmgrid.P
dfpmin.P errclr.P errflg.P finish.P func.P gbass.P gtfnam.P haupt.P ininos.P inv.P latgen.P lnsrch.P
maxstp.P mini.P mold0.P mold.P nn.P nose.P nose0.P nwtmin.P outerr.P pairdis.P rotate.P rotdef.P
wrtscf.P latmix.P distxy.P mdble.P d1mach.P ditsum.P dr7mdc.P dv7cpy.P i7mdcn.P divset.P drldst.P
dv7dfl.P dl7itv.P drmng.P dv7scp.P stopx.P dl7ivm.P dv7vmp.P dl7tvm.P drmngwien.P dw7zbf.P
da7sst.P dl7upd.P func2.P dd7dog.P dl7vml.P dv2axy.P traptouch.P dd7tpr.P dparck.P dv2nrm.P
constr.P fixup2.P dfpmin.prj errclr.prj errflg.prj finish.prj func.prj gbass.prj gtfnam.prj haupt.prj
ininos.prj inv.prj latgen.prj lnsrch.prj maxstp.prj mini.prj mold0.prj mold.prj nn.prj nose.prj nose0.prj
nwtmin.prj outerr.prj pairdis.prj rotate.prj rotdef.prj wrtscf.prj latmix.prj distxy.prj mdble.prj
d1mach.prj ditsum.prj dr7mdc.prj dv7cpy.prj i7mdcn.prj divset.prj drldst.prj dv7dfl.prj dl7itv.prj
drmng.prj dv7scp.prj stopx.prj dl7ivm.prj dv7vmp.prj dl7tvm.prj drmngwien.prj dw7zbf.prj da7sst.prj
dl7upd.prj func2.prj dd7dog.prj dl7vml.prj dv2axy.prj traptouch.prj dd7tpr.prj dparck.prj dv2nrm.prj
constr.prj fixup2.prj atomgrid.prj mxpmgrid.prj \
mini.xref *.mod
make: Circular atomgrid.o <- atomgrid.o dependency dropped.
make: Circular mxpmgrid.o <- atomgrid.o dependency dropped.
make: Circular mxpmgrid.o <- mxpmgrid.o dependency dropped.
gfortran ffree-form -O2 -ffree-line-length-none -c mxpmgrid.f
make: *** [mxpmgrid.o] Error 127
SRC_mixer ...
rm -f W2kinit.o modules.o charge.o distan.o eqival.o errclr.o errflg.o gtfnam.o hyper.o integrn.o
latgen.o mixer.o nn.o normal.o outerr.o read_denmat.o scfana.o setn.o forcint.o cleaning.o invmat.o
write_denmat.o qmix8.o minvers.o stepbound8.o UnPackValues8.o PackValues8.o MSec8.o
W2kutils.o FilterSing.o open_broydfile.o cputim.o initatoms.o writestruct.o rotdef.o Expandset.o
qtraptouch.o qtrapmove.o IPackCount.o SymmCor.o RegFixed.o PWDegen.o stern.o Balance.o
LimitDMIX8n.o FprojmemR1m.o rotate.o AtomsWithDF.o StepOK.o TrustStep.o LMMSR1.o
GetOpts.o normalc.o lsearch.o fixprecise.o ModeSwitch.o Norms.o ReNorm.o LMMSR1u.o SphereC.o
accuracy.o AtomsDiag.o ModeSwitchA.o BLimTrust.o WhatDMIX.o BoundSMaxVal.o TouchInd.o
BackTrack.o Prediction.o SphereTrust.o Average.o User.o NoDriftUn.o read_denscale.o Fproject7.o
LimitDMIX7.o MSec7.o PackValues7.o qmix7.o stepbound7.o UnPackValues7.o W2kinit.P
modules.P charge.P distan.P eqival.P errclr.P errflg.P gtfnam.P hyper.P integrn.P latgen.P mixer.P nn.P
normal.P outerr.P read_denmat.P scfana.P setn.P forcint.P cleaning.P invmat.P write_denmat.P qmix8.P
minvers.P stepbound8.P UnPackValues8.P PackValues8.P MSec8.P W2kutils.P FilterSing.P
open_broydfile.P cputim.P initatoms.P writestruct.P rotdef.P Expandset.P qtraptouch.P qtrapmove.P
IPackCount.P SymmCor.P RegFixed.P PWDegen.P stern.P Balance.P LimitDMIX8n.P
FprojmemR1m.P rotate.P AtomsWithDF.P StepOK.P TrustStep.P LMMSR1.P GetOpts.P normalc.P
lsearch.P fixprecise.P ModeSwitch.P Norms.P ReNorm.P LMMSR1u.P SphereC.P accuracy.P
AtomsDiag.P ModeSwitchA.P BLimTrust.P WhatDMIX.P BoundSMaxVal.P TouchInd.P BackTrack.P
Prediction.P SphereTrust.P Average.P User.P NoDriftUn.P read_denscale.P W2kinit.prj modules.prj
charge.prj distan.prj eqival.prj errclr.prj errflg.prj gtfnam.prj hyper.prj integrn.prj latgen.prj mixer.prj
nn.prj normal.prj outerr.prj read_denmat.prj scfana.prj setn.prj forcint.prj cleaning.prj invmat.prj
write_denmat.prj qmix8.prj minvers.prj stepbound8.prj UnPackValues8.prj PackValues8.prj MSec8.prj
W2kutils.prj FilterSing.prj open_broydfile.prj cputim.prj initatoms.prj writestruct.prj rotdef.prj
Expandset.prj qtraptouch.prj qtrapmove.prj IPackCount.prj SymmCor.prj RegFixed.prj PWDegen.prj
stern.prj Balance.prj LimitDMIX8n.prj FprojmemR1m.prj rotate.prj AtomsWithDF.prj StepOK.prj
TrustStep.prj LMMSR1.prj GetOpts.prj normalc.prj lsearch.prj fixprecise.prj ModeSwitch.prj
Norms.prj ReNorm.prj LMMSR1u.prj SphereC.prj accuracy.prj AtomsDiag.prj ModeSwitchA.prj
BLimTrust.prj WhatDMIX.prj BoundSMaxVal.prj TouchInd.prj BackTrack.prj Prediction.prj
SphereTrust.prj Average.prj User.prj NoDriftUn.prj read_denscale.prj \
mixer.xref *.mod mixer_*
make: Circular modules.o <- modules.o dependency dropped.
gfortran ffree-form -O2 -ffree-line-length-none -c modules.f
make: *** [modules.o] Error 127
SRC_nmr ...
rm -f .complex modules.o cmdlineparam.o get_nkpt.o make_dradf.o make_klist.o make_step.o nmr.o
read_vector.o rint13.o write_qvec.o init_nmr.o make_current_spheres.o make_current_int.o
make_cxyz_sp.o make_cxyz_int.o open_units.o read_weigh.o read_energy.o vector_product.o
set_gaunt.o get_nlo.o write_current.o cputim.o update_sxyz.o make_plot.o read_current.o
get_value_atom.o get_value_int.o write_dx_2d.o ylm.o interp.o where_is_it.o even.o
write_dx_2d_ncm.o setfft.o summffts.o rean_fft.o c3fft.o ifflim.o rint_current.o rad_int_curr.o
gen_cells_list.o Bin_other_atoms.o integrate_current.o Bin_central_atom.o get_moments.o
get_ps_charge.o sph_sub_pw.o sphbes.o resample_int.o Bin_pw.o convert_gvec.o make_current.o
make_int_cxyz.o make_alms.o lomain.o atpar.o dergl.o diracout.o inth.o inouh.o abc.o outwin.o
dvbes1.o readwrite_xim.o make_xim.o get_core_states.o get_lj_from_icore.o make_current_cores.o
make_xim_cores.o make_vectest.o make_charge.o sumpara.o test_radial_at_ene.o
make_atoms_NMR.o get_gvec.o make_in1.o read_innmrplot.o make_coresigma.o
make_fopvec_green.o make_fopvec_leq.o new_iemin_iemax.o make_current_semicore.o
make_sumrule.o make_int_cxyz_core.o make_cxyz_cc.o make_current_cc.o read_inputnmr.o
scaninput.o select.o outwinb.o make_radf_duc.o make_eneduc.o make_int_cxyz_duc.o
make_cxyz_duc.o make_current_duc.o invers.o symmetrize.o get_qvalue.o scan_in2.o make_weigh.o
find_efer.o magnetic_moment.o magnetic_moment_sp.o magnetic_moment_int.o exec_lapw.o
scan_energyfile.o *.mod; \
fi
touch .real
rm -f .parallel modules.o cmdlineparam.o get_nkpt.o make_dradf.o make_klist.o make_step.o nmr.o
fi
touch .sequential
make TYPE='REAL' TYPE_COMMENT='\!_real' \
./nmr FORT=gfortran FFLAGS=' ffree-form -O2 -ffree-line-length-none '
make[1]: Entering directory `/home/akash/Soft/SRC_nmr'
make[1]: Leaving directory `/home/akash/Soft/SRC_nmr'
rm -f .real modules.o cmdlineparam.o get_nkpt.o make_dradf.o make_klist.o make_step.o nmr.o
fi
touch .complex
rm -f .parallel modules.o cmdlineparam.o get_nkpt.o make_dradf.o make_klist.o make_step.o nmr.o
fi
touch .sequential
make TYPE='COMPLEX' TYPE_COMMENT='\!_complex' \
./nmrc FORT=gfortran FFLAGS=' ffree-form -O2 -ffree-line-length-none '
make[1]: Entering directory `/home/akash/Soft/SRC_nmr'
make[1]: Leaving directory `/home/akash/Soft/SRC_nmr'
SRC_nn ...
rm -f struk.o variable_fields.o nn.o dirlat.o ord2.o reduce_alloc.o bvan.o struk.P variable_fields.P nn.P
dirlat.P ord2.P reduce_alloc.P bvan.P nn.prj dirlat.prj ord2.prj reduce_alloc.prj bvan.prj struk.prj
variable_fields.prj \
nn.xref *.mod
gfortran ffree-form -O2 -ffree-line-length-none -c struk.f
make: *** [struk.o] Error 127
SRC_optic ...
make real complex
make[1]: Entering directory `/home/akash/Soft/SRC_optic'
make clean; \
fi
touch .real
make TYPE='REAL' TYPE_COMMENT='!_REAL' ./optic
modules.frc: REAL version extracted
gfortran ffree-form -O2 -ffree-line-length-none -c modules_tmp.f
make[2]: Leaving directory `/home/akash/Soft/SRC_optic'
make[1]: *** [real] Error 2
make: *** [all] Error 2
make clean; \
fi
touch .complex
make TYPE='COMPLEX' TYPE_COMMENT='!_COMPLEX' ./opticc
modules.frc: COMPLEX version extracted
gfortran ffree-form -O2 -ffree-line-length-none -c modules_tmp.f
SRC_optimize ...
rm -f optimize optimize.o
clean
gfortran ffree-form -O2 -ffree-line-length-none -c optimize.f
make: *** [optimize.o] Error 127
SRC_orb ...
rm -f modules.o main.o init.o angle.o opnfs.o errclr.o errflg.o gtfnam.o latgen2.o orbmom.o outwin.o
parop.o rint13.o charg2.o charg3.o rotate.o vldau.o Vcalc.o t3j.o vorbmix.o \
orb .xref *.mod
gfortran ffree-form -O2 -ffree-line-length-none -c modules.f
SRC_pairhess ...
rm -f *.o patchsymm pairhess constrain *.mod struct2cif struct2xyz
gfortran ffree-form -O2 -ffree-line-length-none -c energy.f
make: *** [energy.o] Error 127
SRC_phonon ...
rm -f *.o
clean
gfortran ffree-form -O2 -ffree-line-length-none -c phonon2wien2k_sym.f
make: *** [phonon2wien2k_sym.o] Error 127
SRC_qtl ...
make: *** [reallocate.o] Error 127
SRC_reformat ...
rm -f reformat.o
gcc -c reformat.c
make: gcc: Command not found
make: *** [reformat.o] Error 127
SRC_sgroup ...
rm -f sgroup.o math_sg.o sto.o io.o lat.o pgrp.o pgrp_op.o rotb.o sgrp_cub.o sgrp_hex.o sgrp_tet.o
sgrp_ort.o sgrp_trg.o sgrp_mon.o sgrp_trc.o
gcc -c sgroup.c
make: gcc: Command not found
make: *** [sgroup.o] Error 127
SRC_spacegroup ...
rm -f spacegroup.o
clean
gfortran -c ffree-form -O2 -ffree-line-length-none spacegroup.f
make: *** [spacegroup.o] Error 127
SRC_spaghetti ...
rm -f reallocate.o modules.o bndind.o bz_lin.o cartco.o clipin.o comprel.o con_ev.o defins.o drawt.o
get_ei.o get_k.o inview.o movet.o pgrpnr.o pointi.o psend.o psinit.o spag.o seppt.o transt.o writln.o
writs.o writz.o wrtdate.o reallocate.P modules.P bndind.P bz_lin.P cartco.P clipin.P comprel.P
con_ev.P defins.P drawt.P get_ei.P get_k.P inview.P movet.P pgrpnr.P pointi.P psend.P psinit.P spag.P
seppt.P transt.P writln.P writs.P writz.P wrtdate.P modules.prj bndind.prj bz_lin.prj cartco.prj clipin.prj
comprel.prj con_ev.prj defins.prj drawt.prj get_ei.prj get_k.prj inview.prj movet.prj pgrpnr.prj pointi.prj
psend.prj psinit.prj spag.prj seppt.prj transt.prj writln.prj writs.prj writz.prj wrtdate.prj reallocate.prj \
spaghetti.xref *.mod
SRC_structeditor ...
make clean -C SRC_ncmsymmetry
make[1]: Entering directory `/home/akash/Soft/SRC_structeditor/SRC_ncmsymmetry'
rm -f *.o *_tmp_.* *.P *.mod ncmsymmetry
make[1]: Leaving directory `/home/akash/Soft/SRC_structeditor/SRC_ncmsymmetry'
make clean -C SRC_readwrite
make[1]: Entering directory `/home/akash/Soft/SRC_structeditor/SRC_readwrite'
rm -f module.o readwrite.o convert.o rwoctave.o *.mod readwrite
clean
make[1]: Leaving directory `/home/akash/Soft/SRC_structeditor/SRC_readwrite'
make clean -C SRC_struct2mol
make[1]: Entering directory `/home/akash/Soft/SRC_structeditor/SRC_struct2mol'
rm -f *.o _tmp_.* *.P .real .complex *.mod struct2mol
make[1]: Leaving directory `/home/akash/Soft/SRC_structeditor/SRC_struct2mol'
make clean -C SRC_structgen
make[1]: Entering directory `/home/akash/Soft/SRC_structeditor/SRC_structgen'
ciftbx.o hash_funcs.o test_sgname.o scan_in.o scan_octave.o structgen *.mod
clean
make[1]: Leaving directory `/home/akash/Soft/SRC_structeditor/SRC_structgen'
make -C SRC_ncmsymmetry
make[1]: Entering directory `/home/akash/Soft/SRC_structeditor/SRC_ncmsymmetry'
make[1]: Circular module.o <- module.o dependency dropped.
gfortran ffree-form -O2 -ffree-line-length-none -c module.f
make[1]: *** [module.o] Error 127
make[1]: Leaving directory `/home/akash/Soft/SRC_structeditor/SRC_ncmsymmetry'
make: *** [all] Error 2
SRC_sumhfpara ...
rm -f .complex sumhfpara.o *.mod; \
fi
touch .real
rm -f .parallel *.mod; \
fi
touch .sequential
./sumhfpara FORT=gfortran FFLAGS=' ffree-form -O2 -ffree-line-length-none '
make[1]: Entering directory `/home/akash/Soft/SRC_sumhfpara'
gfortran ffree-form -O2 -ffree-line-length-none -c errclr.f
make[1]: *** [errclr.o] Error 127
make[1]: Leaving directory `/home/akash/Soft/SRC_sumhfpara'
rm -f .real sumhfpara.o *.mod; \
fi
touch .complex
rm -f .parallel *.mod; \
fi
touch .sequential
./sumhfparac FORT=gfortran FFLAGS=' ffree-form -O2 -ffree-line-length-none '
make[1]: Entering directory `/home/akash/Soft/SRC_sumhfpara'
make[1]: *** [errclr.o] Error 127
make[1]: Leaving directory `/home/akash/Soft/SRC_sumhfpara'
SRC_sumpara ...
rm -f errclr.o errflg.o gtfnam2.o dmatscf.o latgen.o sumpara.o outerr.o scfsum.o mknam.o strln.o
errclr.P errflg.P gtfnam2.P dmatscf.P latgen.P sumpara.P outerr.P scfsum.P mknam.P strln.P errclr.prj
errflg.prj gtfnam2.prj dmatscf.prj latgen.prj sumpara.prj outerr.prj scfsum.prj mknam.prj strln.prj \
sumpara.xref
make: *** [errclr.o] Error 127
SRC_supercell ...
rm -f supercell.o supercell.P supercell.prj \
supercell.xref *.mod
gfortran ffree-form -O2 -ffree-line-length-none -c supercell.f
make: *** [supercell.o] Error 127
SRC_symmetry ...
rm -f symmetry.o symop.o class.o kurki.o latsym.o checks.o matmm.o dirlat.o pgbsym.o pglsym.o
reclat.o matinv.o put.o order.o ordix.o lmsort.o volnew.o lubksb.o ludcmp.o volofb.o dot.o rstruc.o
gtfnam.o dirdef.o dirdeh.o matrot.o strwri.o symmetry.P symop.P class.P kurki.P latsym.P checks.P
matmm.P dirlat.P pgbsym.P pglsym.P reclat.P matinv.P put.P order.P ordix.P lmsort.P volnew.P
lubksb.P ludcmp.P volofb.P dot.P rstruc.P gtfnam.P dirdef.P dirdeh.P matrot.P strwri.P symmetry.prj
symop.prj class.prj kurki.prj latsym.prj checks.prj matmm.prj dirlat.prj pgbsym.prj pglsym.prj reclat.prj
matinv.prj put.prj order.prj ordix.prj lmsort.prj volnew.prj lubksb.prj ludcmp.prj volofb.prj dot.prj
rstruc.prj gtfnam.prj dirdef.prj dirdeh.prj matrot.prj strwri.prj \
symmetry.xref
gfortran ffree-form -O2 -ffree-line-length-none -c symmetry.f
make: *** [symmetry.o] Error 127
SRC_symmetso ...
rm -f symmetso.o angle.o br1dm.o checks.o class.o clmchange.o dirdef.o dirdeh.o dirlat.o dot.o
gbass.o gtfnam.o inverss.o in1ch.o incch.o kurki.o latgen.o latsym.o lmsort.o locdef.o lubksb.o
ludcmp.o matmm.o matinv.o matrot.o minvec.o order.o ordix.o outerr.o pgbsym.o pglsym.o put.o
reclat.o rewr.o rotdef.o rstruc.o strwri.o symso.o symho.o symop.o volnew.o volofb.o inorbch.o
indmch.o vorbch.o symmetso.P angle.P br1dm.P checks.P class.P clmchange.P dirdef.P dirdeh.P
dirlat.P dot.P gbass.P gtfnam.P inverss.P in1ch.P incch.P kurki.P latgen.P latsym.P lmsort.P locdef.P
lubksb.P ludcmp.P matmm.P matinv.P matrot.P minvec.P order.P ordix.P outerr.P pgbsym.P pglsym.P
put.P reclat.P rewr.P rotdef.P rstruc.P strwri.P symso.P symho.P symop.P volnew.P volofb.P inorbch.P
indmch.P vorbch.P symmetso.prj angle.prj br1dm.prj checks.prj class.prj clmchange.prj dirdef.prj
dirdeh.prj dirlat.prj dot.prj gbass.prj gtfnam.prj inverss.prj in1ch.prj incch.prj kurki.prj latgen.prj
latsym.prj lmsort.prj locdef.prj lubksb.prj ludcmp.prj matmm.prj matinv.prj matrot.prj minvec.prj
order.prj ordix.prj outerr.prj pgbsym.prj pglsym.prj put.prj reclat.prj rewr.prj rotdef.prj rstruc.prj
strwri.prj symso.prj symho.prj symop.prj volnew.prj volofb.prj inorbch.prj indmch.prj vorbch.prj \
symmetso.xref
gfortran ffree-form -O2 -ffree-line-length-none -c symmetso.f
make: *** [symmetso.o] Error 127
SRC_telnes3 ...
rm -f calculateintermatrix.o ados.o angularmesh.o angularxspectrum.o arbdos.o atpar.o
averagedangularspectrum.o averagedenergyspectrum.o bessj.o bessj0.o bessj1.o
calculateangularspectrum.o calculateenergyspectrum.o calculatematrices.o calculateweights.o
comatrix.o conversiondegrad.o coreholelifetime.o corewavefunction.o dalp.o dblfactrl.o ddlmlm.o
defineindex.o densityofstates.o describetask.o determinant.o elnes.o energymesh.o energyxspectrum.o
errclr.o errflg.o fact.o factln.o factrl.o fpot.o gammln.o gtfnam.o hfsd.o identity.o inouh.o insld.o inth.o
inverse.o latgen.o modules.o multscalmatrix.o noculc.o normofradialfunctions.o
orientedangularspectrum.o orientedenergyspectrum.o orthogonality.o outerr.o outwin.o potsl.o
productmatmat.o productmatvect.o prodvectvect.o qmesh.o radialderivative.o radialfunctions.o
readcrossdos.o readdos.o readinnes.o readrotij.o readstruct.o reciproclatvect.o resld.o rint13.o rint14.o
rotate.o rotatecrist.o rotation.o rotdef.o somm.o spherbes.o tetraforelnes.o threejm0.o threejsymbol.o
transpose.o usebr1.o wavelength.o writeangulardependence1.o writeangulardependence2.o
writeaveragedangularspectrum.o writeaveragedenergyspectrum.o writeddlmlm.o writedosl.o
writedoslm.o writeorientedangularspectrum.o writeorientedenergyspectrum.o writexdos.o ylm.o
extend_wien2k_potential.o energyxspectrumbis.o charge.o charg.o ewp_init.o ewp_pot.o gbass.o
gener.o hslgr1.o hslgrs.o interp.o outin.o radial.o reduc.o rhoout.o rotate_ewp.o rotat.o rotato.o
rotdef_ewp.o spherepack.o sternb.o stern.o sum.o vdif.o vnorm.o angularxspectrumbis.o spline.o
sevald.o plotrint14.o threeylm.o dd.o rotateylm.o averagedangularxspectrum.o
averagedangularxspectrumbis.o averagedenergyxspectrum.o averagedenergyxspectrumbis.o bessj2.o
bessj3.o bessj4.o \
telnes3.xref *.mod *.tex *.aux *.log *.toc compile.msg
make: Circular modules.o <- modules.o dependency dropped.
gfortran ffree-form -O2 -ffree-line-length-none -c -o modules.o modules.F
SRC_templates ...
SRC_tetra ...
rm -f reallocate.o tetra.o arbdos.o noculc.o ados.o gtfnam.o errflg.o errclr.o broad.o broaddos.o
parsetext.o reallocate.P tetra.P arbdos.P noculc.P ados.P gtfnam.P errflg.P errclr.P broad.P broaddos.P
parsetext.P tetra.prj arbdos.prj noculc.prj ados.prj gtfnam.prj errflg.prj errclr.prj broad.prj broaddos.prj
parsetext.prj reallocate.prj \
tetra.xref *.mod
make: Circular reallocate.o <- reallocate.o dependency dropped.
SRC_Tmaker ...
rm -f Tmaker.o
clean
gfortran -c ffree-form -O2 -ffree-line-length-none Tmaker.f
make: *** [Tmaker.o] Error 127
SRC_trig ...
rm -f *.mod *.o
make -C ../SRC_w2w lib/util_w2w.o
make[1]: Entering directory `/home/akash/Soft/SRC_w2w'
gfortran ffree-form -O2 -ffree-line-length-none -DHAVE_PTR_ALLOC_GENERICS -Ilib -ffree-
form -g -pedantic -Wcharacter-truncation -Wno-maybe-uninitialized -ffree-line-length-0 -c util_w2w.F
-olib/util_w2w.o -J lib
make[1]: *** [lib/util_w2w.o] Error 127
make[1]: Leaving directory `/home/akash/Soft/SRC_w2w'
make: *** [../SRC_w2w/lib/util_w2w.o] Error 2
SRC_txspec ...
rm -f atomgrid.o reallocate.o atpar.o cdsld.o charge.o dalp.o errclr.o errflg.o fpot.o gtfnam.o hfsd.o
inilpw.o inouh.o insld.o inth.o outerr.o outwin.o potsl.o resld.o rint13.o somm.o txspec.o ykdir.o
atomgrid.P reallocate.P atpar.P cdsld.P charge.P dalp.P errclr.P errflg.P fpot.P gtfnam.P hfsd.P inilpw.P
inouh.P insld.P inth.P outerr.P outwin.P potsl.P resld.P rint13.P somm.P txspec.P ykdir.P atpar.prj
cdsld.prj charge.prj dalp.prj errclr.prj errflg.prj fpot.prj gtfnam.prj hfsd.prj inilpw.prj inouh.prj insld.prj
inth.prj outerr.prj outwin.prj potsl.prj resld.prj rint13.prj somm.prj txspec.prj ykdir.prj atomgrid.prj
reallocate.prj \
txspec.xref *.mod
make: Circular atomgrid.o <- atomgrid.o dependency dropped.
make: Circular reallocate.o <- atomgrid.o dependency dropped.
make: Circular reallocate.o <- reallocate.o dependency dropped.
SRC_usersguide_html ...
SRC_vecpratt ...
make clean; \
fi
touch .real
make TYPE='REAL' TYPE_COMMENT='!_REAL' ./vecpratt
make[1]: Entering directory `/home/akash/Soft/SRC_vecpratt'
vecpratt.F: REAL version extracted
gfortran ffree-form -O2 -ffree-line-length-none -c vecpratt_tmp.F
make[1]: *** [vecpratt.o] Error 127
make[1]: Leaving directory `/home/akash/Soft/SRC_vecpratt'
make clean; \
fi
touch .complex
make TYPE='COMPLEX' TYPE_COMMENT='!_COMPLEX' ./vecprattc
vecpratt.F: COMPLEX version extracted
gfortran ffree-form -O2 -ffree-line-length-none -c vecpratt_tmp.F
make[1]: *** [vecpratt.o] Error 127
SRC_w2w ...
rm -f lib/util_w2w.o lib/mod_w2w.o lib/modules.o libr/main.o libr/modules_rc.o libc/main.o
libc/modules_rc.o lib/*.mod libr/*.mod libc/*.mod
make: *** [lib/util_w2w.o] Error 127
make: *** [lib/util_w2w.o] Error 127
SRC_w2web ...
make: *** No targets. Stop.
SRC_wplot ...
rm -f lib/modules.o libr/wplot.o libr/modules_rc.o libc/wplot.o libc/modules_rc.o lib/*.mod
libr/*.mod libc/*.mod
SRC_structeditor/SRC_lib ...
SRC_structeditor/SRC_ncmsymmetry ...
rm -f *.o *_tmp_.* *.P *.mod ncmsymmetry
make: Circular module.o <- module.o dependency dropped.
gfortran ffree-form -O2 -ffree-line-length-none -c module.f
SRC_structeditor/SRC_readwrite ...
rm -f module.o readwrite.o convert.o rwoctave.o *.mod readwrite
clean
SRC_structeditor/SRC_struct2mol ...
rm -f *.o _tmp_.* *.P .real .complex *.mod struct2mol
SRC_structeditor/SRC_structgen ...
ciftbx.o hash_funcs.o test_sgname.o scan_in.o scan_octave.o structgen *.mod
clean
Copying programs
WARNING: no executable found in SRC_afminput. Check compile.msg in this directory
WARNING: no executable found in SRC_aim. Check compile.msg in this directory
WARNING: no executable found in SRC_arrows. Check compile.msg in this directory
SRC_BerryPI/BerryPI
cp: omitting directory SRC_BerryPI/BerryPI
WARNING: no executable found in SRC_broadening. Check compile.msg in this directory
WARNING: no executable found in SRC_cif2struct. Check compile.msg in this directory
WARNING: no executable found in SRC_clmaddsub. Check compile.msg in this directory
WARNING: no executable found in SRC_clmcopy. Check compile.msg in this directory
WARNING: no executable found in SRC_dipan. Check compile.msg in this directory
WARNING: no executable found in SRC_dstart. Check compile.msg in this directory
WARNING: no executable found in SRC_eosfit. Check compile.msg in this directory
WARNING: no executable found in SRC_eosfit6. Check compile.msg in this directory
WARNING: no executable found in SRC_filtvec. Check compile.msg in this directory
WARNING: no executable found in SRC_hf. Check compile.msg in this directory
WARNING: no executable found in SRC_initxspec. Check compile.msg in this directory
WARNING: no executable found in SRC_irrep. Check compile.msg in this directory
WARNING: no executable found in SRC_joint. Check compile.msg in this directory
WARNING: no executable found in SRC_kgen. Check compile.msg in this directory
WARNING: no executable found in SRC_kram. Check compile.msg in this directory
WARNING: no executable found in SRC_lapw0. Check compile.msg in this directory
WARNING: no executable found in SRC_lapwdm. Check compile.msg in this directory
WARNING: no executable found in SRC_lapwso. Check compile.msg in this directory
WARNING: no executable found in SRC_lcore. Check compile.msg in this directory
WARNING: no executable found in SRC_lorentz. Check compile.msg in this directory
WARNING: no executable found in SRC_lstart. Check compile.msg in this directory
WARNING: no executable found in SRC_mini. Check compile.msg in this directory
WARNING: no executable found in SRC_mixer. Check compile.msg in this directory
WARNING: no executable found in SRC_nmr. Check compile.msg in this directory
WARNING: no executable found in SRC_nn. Check compile.msg in this directory
WARNING: no executable found in SRC_optic. Check compile.msg in this directory
WARNING: no executable found in SRC_optimize. Check compile.msg in this directory
WARNING: no executable found in SRC_orb. Check compile.msg in this directory
WARNING: no executable found in SRC_pairhess. Check compile.msg in this directory
WARNING: no executable found in SRC_qtl. Check compile.msg in this directory
WARNING: no executable found in SRC_reformat. Check compile.msg in this directory
WARNING: no executable found in SRC_sgroup. Check compile.msg in this directory
WARNING: no executable found in SRC_spacegroup. Check compile.msg in this directory
WARNING: no executable found in SRC_spaghetti. Check compile.msg in this directory
WARNING: no executable found in SRC_sumhfpara. Check compile.msg in this directory
WARNING: no executable found in SRC_sumpara. Check compile.msg in this directory
WARNING: no executable found in SRC_supercell. Check compile.msg in this directory
WARNING: no executable found in SRC_symmetry. Check compile.msg in this directory
WARNING: no executable found in SRC_symmetso. Check compile.msg in this directory
WARNING: no executable found in SRC_telnes3. Check compile.msg in this directory
WARNING: no executable found in SRC_tetra. Check compile.msg in this directory
WARNING: no executable found in SRC_Tmaker. Check compile.msg in this directory
WARNING: no executable found in SRC_txspec. Check compile.msg in this directory
WARNING: no executable found in SRC_vecpratt. Check compile.msg in this directory
WARNING: no executable found in SRC_w2w. Check compile.msg in this directory
SRC_w2web/w2web
cp: SRC_w2web/w2web and /home/akash/Soft/w2web are the same file
WARNING: no executable found in SRC_wplot. Check compile.msg in this directory
WARNING: no executable found in SRC_structeditor/SRC_ncmsymmetry. Check compile.msg in this
directory
WARNING: no executable found in SRC_structeditor/SRC_readwrite. Check compile.msg in this
directory
WARNING: no executable found in SRC_structeditor/SRC_struct2mol. Check compile.msg in this
directory
WARNING: no executable found in SRC_structeditor/SRC_structgen. Check compile.msg in this
directory
done.
Compile time errors (if any) were:

SRC_2DRoptimize/compile.msg:make: *** [fminenefitCOA.o] Error 127
SRC_afminput/compile.msg:make: *** [afminput.o] Error 127
SRC_aim/compile.msg:make[1]: *** [moduls.o] Error 127
SRC_aim/compile.msg:make: *** [real] Error 2
SRC_aim/compile.msg:make[1]: *** [moduls.o] Error 127
SRC_aim/compile.msg:make: *** [complex] Error 2
SRC_arrows/compile.msg:make: *** [gtfnam.o] Error 127
SRC_balsac-utils/compile.msg:make: *** [outnn2plt.o] Error 127
SRC_broadening/compile.msg:make: *** [broadening.o] Error 127
SRC_cif2struct/compile.msg:make: *** [module.o] Error 127
SRC_clmaddsub/compile.msg:make: *** [clmaddsub.o] Error 127
SRC_clmcopy/compile.msg:make: *** [clmcopy.o] Error 127
SRC_dipan/compile.msg:make: *** [dipan.o] Error 127
SRC_dstart/compile.msg:make[1]: *** [module.o] Error 127
SRC_dstart/compile.msg:make: *** [seq] Error 2
SRC_elast/compile.msg:make: *** [genetempl.o] Error 127
SRC_eosfit6/compile.msg:make: *** [eosfit6.o] Error 127
SRC_eosfit/compile.msg:make: *** [eosfit.o] Error 127
SRC_filtvec/compile.msg:make[1]: *** [filtvec.o] Error 127
SRC_filtvec/compile.msg:make: *** [real] Error 2
SRC_filtvec/compile.msg:make[1]: *** [filtvec.o] Error 127
SRC_filtvec/compile.msg:make: *** [complex] Error 2
SRC_fsgen/compile.msg:make: *** [bcc_fs_mesh.o] Error 127
SRC_hf/compile.msg:make[1]: *** [modules.o] Error 127
SRC_hf/compile.msg:make: *** [real] Error 2
SRC_hf/compile.msg:make[1]: *** [modules.o] Error 127
SRC_hf/compile.msg:make: *** [complex] Error 2
SRC_initxspec/compile.msg:make: *** [initxspec.o] Error 127
SRC_IRelast/compile.msg:make: *** [C_setupc1112.o] Error 127
SRC_irrep/compile.msg:make: *** [felder.o] Error 127
SRC_joint/compile.msg:make: *** [felder.o] Error 127
SRC_kgen/compile.msg:make: *** [main.o] Error 127
SRC_kram/compile.msg:make: *** [drude.o] Error 127
SRC_lapw0/compile.msg:make[1]: *** [cputim.o] Error 127
SRC_lapw0/compile.msg:make: *** [seq] Error 2
SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 127
SRC_lapw1/compile.msg:make: *** [real] Error 2
SRC_lapw1/compile.msg:make: *** [complex] Error 2
SRC_lapw3/compile.msg:make[1]: *** [atomgrid.o] Error 127
SRC_lapw3/compile.msg:make[1]: *** [atomgrid.o] Error 127
SRC_lapw7/compile.msg:make[1]: *** [moduls.o] Error 127
SRC_lapw7/compile.msg:make[1]: *** [moduls.o] Error 127
SRC_lapwdm/compile.msg:make[1]: *** [reallocate.o] Error 127
SRC_lapwdm/compile.msg:make: *** [real] Error 2
SRC_lapwdm/compile.msg:make[1]: *** [reallocate.o] Error 127
SRC_lapwdm/compile.msg:make: *** [complex] Error 2
SRC_lapwso/compile.msg:make[1]: *** [reallocate.o] Error 127
SRC_lapwso/compile.msg:make: *** [seq] Error 2
SRC_lcore/compile.msg:make: *** [W2kinit.o] Error 127
SRC_lorentz/compile.msg:make: *** [lorentz.o] Error 127
SRC_lstart/compile.msg:make: *** [cdlsd.o] Error 127
SRC_mini/compile.msg:make: *** [mxpmgrid.o] Error 127
SRC_mixer/compile.msg:make: *** [modules.o] Error 127
SRC_nmr/compile.msg:make[1]: *** [modules.o] Error 127
SRC_nmr/compile.msg:make: *** [real] Error 2
SRC_nmr/compile.msg:make[1]: *** [modules.o] Error 127
SRC_nmr/compile.msg:make: *** [complex] Error 2
SRC_nn/compile.msg:make: *** [struk.o] Error 127
SRC_optic/compile.msg:make[2]: *** [modules.o] Error 127
SRC_optic/compile.msg:make[1]: *** [real] Error 2
SRC_optic/compile.msg:make: *** [all] Error 2
SRC_optic/compile.msg:make[1]: *** [modules.o] Error 127
SRC_optic/compile.msg:make: *** [complex] Error 2
SRC_optimize/compile.msg:make: *** [optimize.o] Error 127
SRC_orb/compile.msg:make: *** [modules.o] Error 127
SRC_pairhess/compile.msg:make: *** [energy.o] Error 127
SRC_phonon/compile.msg:make: *** [phonon2wien2k_sym.o] Error 127
SRC_qtl/compile.msg:make: *** [reallocate.o] Error 127
SRC_reformat/compile.msg:make: *** [reformat.o] Error 127
SRC_sgroup/compile.msg:make: *** [sgroup.o] Error 127
SRC_spacegroup/compile.msg:make: *** [spacegroup.o] Error 127
SRC_spaghetti/compile.msg:make: *** [reallocate.o] Error 127
SRC_structeditor/compile.msg:make[1]: *** [module.o] Error 127
SRC_structeditor/compile.msg:make: *** [all] Error 2
SRC_sumhfpara/compile.msg:make[1]: *** [errclr.o] Error 127
SRC_sumhfpara/compile.msg:make: *** [real] Error 2
SRC_sumhfpara/compile.msg:make[1]: *** [errclr.o] Error 127
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_Tmaker/compile.msg:make: *** [Tmaker.o] Error 127
SRC_trig/compile.msg:make[1]: *** [lib/util_w2w.o] Error 127
SRC_trig/compile.msg:make: *** [../SRC_w2w/lib/util_w2w.o] Error 2
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_w2w/compile.msg:make: *** [lib/util_w2w.o] Error 127
SRC_w2w/compile.msg:make: *** [lib/util_w2w.o] Error 127
SRC_wplot/compile.msg:make[1]: *** [lib/util_w2w.o] Error 127
SRC_wplot/compile.msg:make: *** [../SRC_w2w/lib/util_w2w.o] Error 2
SRC_wplot/compile.msg:make[1]: *** [lib/util_w2w.o] Error 127
SRC_wplot/compile.msg:make: *** [../SRC_w2w/lib/util_w2w.o] 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
Check file compile.msg in the corresponding SRC_* directory for the

compilation log and more info on any compilation problem.

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Respected Sir,

1. Create a folder in home derive in CentOS 7

write ./siteconfig_lapw in local host terminal

This is the first time that you install WIEN2k on this

continue or stop (c/s)

Last configuration: Wed Mar 8 22:24:42 IST 2017

Current system is: unknown

I Linux (Intel ifort compiler (12.0 or later)+mkl (+intelmpi))

not updated older options:

Recommended setting for f90 compiler: gfortran

Your compiler: gfortran

Changing Compilers to gfortran and cc in:

Your Fortran compiler will be gfortran.

Press RETURN to continue

Last configuration: Wed Mar 8 22:24:42 IST 2017

For more info see http://www.wien2k.at/reg_user/faq

To change an item select option.

changing Makefile in SRC_lib/blas_lapw

Last configuration: Wed Mar 8 22:24:42 IST 2017

Again site configuration site press P result display

These options are stored in parallel_options of WIENROOT

Parallel execution makes use of remote shells.

Please specify the name of the remote shell command:

On linuxgfortran systems the remote shell normally is ssh,

Remote shell (default is ssh) =

Last configuration: Wed Mar 8 22:24:42 IST 2017

press R on site configuration site then result display

A Compile all programs (suggested)

Compile time errors (if any) were:

Check file compile.msg in the corresponding SRC_* directory for the

Press RETURN to continue

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