<div dir="ltr"><div><div><div><div>Dear Gerhard , <br><br></div>I don`t know exactly what the problem is in my setting up. Thanks a lot for your sincerely answer. <br><br><br></div><div>SOME OF SELECTIONS ABOUT MY SETTING UP <br>
<br></div><div><br>**********************<br> * Specify a system *<br> **********************<br><br> Current system is: unknown<br><br> I Linux (Intel ifort 12.0 compiler + mkl )<br> J Linux (Intel ifort 9 or 10 compiler + mkl 9.0 )<br>
K Linux (Intel ifort 11.0 compiler + mkl )<br> K1 Linux (Intel ifort 11.1 compiler + mkl )<br> A AIX<br> V Linux (gfortran compiler + gotolib)<br> G GENERIC (should work on any platform)<br>
L Linux (PGI compiler)<br> P Linux (Pathscale compiler)<br> W Linux (G95 compiler + gotolib)<br> S SGI (Origin) <br> S1 SGI Altix 350/3000 with Intel 7.1 compiler)<br> U SUN <br>
L1 Linux (Lahey LF97 compiler)<br> M Mac (mac g4 + absoft compiler)<br> Selection: K1 <br><br><br></div>Lib : R R_LIB (LAPACK+BLAS): -lmkl_lapack -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread -lguide<br>
<br>Remote shell (default is ssh) = ssh<br><br>************************************<br> * Compile/Recompile programs *<br> ************************************<br><br> A Compile all programs (suggested)<br>
<br> Q Quit<br><br> Selection: A <br><br><br></div><b>AFTER THAT WHEN I SELECT A </b><br><br>Compile time errors (if any) were:<br>SRC_2Doptimize/compile.msg:make: *** [fminenefitcoa.o] Error 127<br>SRC_afminput/compile.msg:make: *** [afminput.o] Error 127<br>
SRC_aim/compile.msg:make[1]: *** [moduls.o] Error 127<br>SRC_aim/compile.msg:make: *** [real] Error 2<br>SRC_aim/compile.msg:make[1]: *** [moduls.o] Error 127<br>SRC_aim/compile.msg:make: *** [complex] Error 2<br>SRC_arrows/compile.msg:make: *** [gtfnam.o] Error 127<br>
SRC_balsac-utils/compile.msg:make: *** [outnn2plt.o] Error 127<br>SRC_broadening/compile.msg:make: *** [broadening.o] Error 127<br>SRC_cif2struct/compile.msg:make: *** [module.o] Error 127<br>SRC_clmaddsub/compile.msg:make: *** [clmaddsub.o] Error 127<br>
SRC_clmcopy/compile.msg:make: *** [clmcopy.o] Error 127<br>SRC_dipan/compile.msg:make: *** [dipan.o] Error 127<br>SRC_dstart/compile.msg:make: *** [module.o] Error 127<br>SRC_elast/compile.msg:make: *** [genetempl.o] Error 127<br>
SRC_eosfit6/compile.msg:make: *** [eosfit6.o] Error 127<br>SRC_eosfit/compile.msg:make: *** [eosfit.o] Error 127<br>SRC_filtvec/compile.msg:make[1]: *** [filtvec.o] Error 127<br>SRC_filtvec/compile.msg:make: *** [real] Error 2<br>
SRC_filtvec/compile.msg:make[1]: *** [filtvec.o] Error 127<br>SRC_filtvec/compile.msg:make: *** [complex] Error 2<br>SRC_fsgen/compile.msg:make: *** [bcc_fs_mesh.o] Error 127<br>SRC_hf/compile.msg:make[1]: *** [modules.o] Error 127<br>
SRC_hf/compile.msg:make: *** [real] Error 2<br>SRC_hf/compile.msg:make[1]: *** [modules.o] Error 127<br>SRC_hf/compile.msg:make: *** [complex] Error 2<br>SRC_initxspec/compile.msg:make: *** [initxspec.o] Error 127<br>SRC_irrep/compile.msg:make: *** [felder.o] Error 127<br>
SRC_joint/compile.msg:make: *** [felder.o] Error 127<br>SRC_kgen/compile.msg:make: *** [main.o] Error 127<br>SRC_kram/compile.msg:make: *** [drude.o] Error 127<br>SRC_lapw0/compile.msg:make[1]: *** [modules.o] Error 127<br>
SRC_lapw0/compile.msg:make: *** [seq] Error 2<br>SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 127<br>SRC_lapw1/compile.msg:make: *** [real] Error 2<br>SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 127<br>SRC_lapw1/compile.msg:make: *** [complex] Error 2<br>
SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 127<br>SRC_lapw2/compile.msg:make: *** [real] Error 2<br>SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 127<br>SRC_lapw2/compile.msg:make: *** [complex] Error 2<br>
SRC_lapw3/compile.msg:make[1]: *** [atomgrid.o] Error 127<br>SRC_lapw3/compile.msg:make: *** [real] Error 2<br>SRC_lapw3/compile.msg:make[1]: *** [atomgrid.o] Error 127<br>SRC_lapw3/compile.msg:make: *** [complex] Error 2<br>
SRC_lapw5/compile.msg:make[1]: *** [atomgrid.o] Error 127<br>SRC_lapw5/compile.msg:make: *** [real] Error 2<br>SRC_lapw5/compile.msg:make[1]: *** [atomgrid.o] Error 127<br>SRC_lapw5/compile.msg:make: *** [complex] Error 2<br>
SRC_lapw7/compile.msg:make[1]: *** [moduls.o] Error 127<br>SRC_lapw7/compile.msg:make: *** [real] Error 2<br>SRC_lapw7/compile.msg:make[1]: *** [moduls.o] Error 127<br>SRC_lapw7/compile.msg:make: *** [complex] Error 2<br>
SRC_lapwdm/compile.msg:make[1]: *** [reallocate.o] Error 127<br>SRC_lapwdm/compile.msg:make: *** [real] Error 2<br>SRC_lapwdm/compile.msg:make[1]: *** [reallocate.o] Error 127<br>SRC_lapwdm/compile.msg:make: *** [complex] Error 2<br>
SRC_lapwso/compile.msg:make: *** [reallocate.o] Error 127<br>SRC_lcore/compile.msg:make: *** [cdsld.o] Error 127<br>SRC_lorentz/compile.msg:make: *** [lorentz.o] Error 127<br>SRC_lstart/compile.msg:make: *** [cdlsd.o] Error 127<br>
SRC_mini/compile.msg:make: *** [mxpmgrid.o] Error 127<br>SRC_mixer/compile.msg:make: *** [modules.o] Error 127<br>SRC_nn/compile.msg:make: *** [struk.o] Error 127<br>SRC_optic/compile.msg:make[1]: *** [modules.o] Error 127<br>
SRC_optic/compile.msg:make: *** [real] Error 2<br>SRC_optic/compile.msg:make[1]: *** [modules.o] Error 127<br>SRC_optic/compile.msg:make: *** [complex] Error 2<br>SRC_optimize/compile.msg:make: *** [optimize.o] Error 127<br>
SRC_orb/compile.msg:make: *** [modules.o] Error 127<br>SRC_pairhess/compile.msg:make: *** [energy.o] Error 127<br>SRC_phonon/compile.msg:make: *** [phonon2wien2k_sym.o] Error 127<br>SRC_qtl/compile.msg:make: *** [reallocate.o] Error 127<br>
SRC_spacegroup/compile.msg:make: *** [spacegroup.o] Error 127<br>SRC_spaghetti/compile.msg:make: *** [reallocate.o] Error 127<br>SRC_structeditor/compile.msg:make[1]: *** [module.o] Error 127<br>SRC_structeditor/compile.msg:make: *** [all] Error 2<br>
SRC_sumhfpara/compile.msg:make[1]: *** [errclr.o] Error 127<br>SRC_sumhfpara/compile.msg:make: *** [real] Error 2<br>SRC_sumhfpara/compile.msg:make[1]: *** [errclr.o] Error 127<br>SRC_sumhfpara/compile.msg:make: *** [complex] Error 2<br>
SRC_sumpara/compile.msg:make: *** [errclr.o] Error 127<br>SRC_supercell/compile.msg:make: *** [supercell.o] Error 127<br>SRC_symmetry/compile.msg:make: *** [symmetry.o] Error 127<br>SRC_symmetso/compile.msg:make: *** [symmetso.o] Error 127<br>
SRC_telnes3/compile.msg:make: *** [modules.o] Error 127<br>SRC_tetra/compile.msg:make: *** [reallocate.o] Error 127<br>SRC_trig/compile.msg:make: *** [rhomb_in5.o] Error 127<br>SRC_txspec/compile.msg:make: *** [reallocate.o] Error 127<br>
SRC_vecpratt/compile.msg:make[1]: *** [vecpratt.o] Error 127<br>SRC_vecpratt/compile.msg:make: *** [real] Error 2<br>SRC_vecpratt/compile.msg:make[1]: *** [vecpratt.o] Error 127<br>SRC_vecpratt/compile.msg:make: *** [complex] Error 2<br>
SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [module.o] Error 127<br>SRC_structeditor/SRC_readwrite/compile.msg:make: *** [module.o] Error 127<br>SRC_structeditor/SRC_struct2mol/compile.msg:make: *** [reallocate.o] Error 127<br>
SRC_structeditor/SRC_structgen/compile.msg:make: *** [module.o] Error 127<br><br><br>Check file compile.msg in the corresponding SRC_* directory for the <br>compilation log and more info on any compilation problem.<br>
<br><br>Specify the path of the perl program. The default is <br><br> /usr/bin/perl<br><br> Please enter the full path of the perl program: /usr/bin/perl <b> ( I don`t know it`s correct or false perl for me ! ) </b><br>
<br></div>AND FOR USER CONFIGURATION <br><br><br> *********************************************************"<br> * WIEN 2k *"<br> * user configuration *"<br>
*********************************************************"<br> Last configuration: Sat Aug 30 20:37:16 EEST 2014<br> Wien Version: WIEN2k_12.1 (Release 22/7/2012)<br> System: linuxif111<br>
<br> Setting up user: ayhan <br> Home directory: /home/ayhan<br> Shell: bash<br><br> Specify your prefered editor (default is emacs):<br> editor shall be: emacs<br><br><br> Set editor to emacs (Y/n) Y<br>
<br> Specify your prefered DATA directory, where your cases should be <br> stored (for /home/ayhan/WIEN2k, just enter RETURN key):<br> DATA directory: <br><br> Set DATA directory to /home/ayhan/WIEN2k (Y/n) Y<br>
trying to create /home/ayhan/WIEN2k ...<br><br> Specify your prefered scratch directory, where big case.vector files<br> can be stored (Recommended is your working dir., just enter RETURN key):<br> scratch directory: dir.<br>
<br> Set scratch directory to dir. (Y/n) Y<br><br> Specify your program to read pdf files (default is acroread) <br> (on some Linux systems use xpdf):acroread<br><br> Set PDFREADER to acroread (Y/n) Y<br>
<br><br>!!! The following lines will be added to your .bashrc file if you continue !!!<br> A copy of your current .bashrc will be saved under .bashrc.savelapw!<br><br># added by WIEN2k: BEGIN<br># --------------------------------------------------------<br>
alias lsi="ls -aslp *.in*"<br>alias lso="ls -aslp *.ou*"<br>alias lsd="ls -aslp *.def"<br>alias lsc="ls -aslp *.cl*"<br>alias lss="ls -aslp *.sc*"<br>alias lse="ls -aslp *.error"<br>
alias pslapw="ps -ef |grep "lapw""<br>alias cdw="cd /home/ayhan/WIEN2k"<br>export OMP_NUM_THREADS=1<br>#export LD_LIBRARY_PATH=.....<br>export EDITOR="emacs"<br>export SCRATCH=dir.<br>
export WIENROOT=/home/ayhan/WIEN2k_12<br>export W2WEB_CASE_BASEDIR=/home/ayhan/WIEN2k<br>export STRUCTEDIT_PATH=$WIENROOT/SRC_structeditor/bin<br>export PDFREADER=acroread<br>export PATH=$PATH:$WIENROOT:$STRUCTEDIT_PATH:.<br>
export OCTAVE_EXEC_PATH=${PATH}::<br>export OCTAVE_PATH=${STRUCTEDIT_PATH}::<br><br>ulimit -s unlimited<br>alias octave="octave -p $OCTAVE_PATH"<br># --------------------------------------------------------<br><br>
Do you want to continue (Y/n)? Y<br><br> *) adding aliases<br> *) adding environment variables<br> *) adding path to wien programs and set unlimited stacksize<br> done.<br><br> If you want to use k-point parallel execution on a non-shared memory<br>
system, you must be able to login without specifying a password. <br> When using rsh you should modify your .rhosts file, if you are<br> using ssh you must generate (ssh-keygen) and transfer your "public keys".<br>
<br> Edit .rhosts file now? (y/N) N<br><br><br><br> *********************************************************<br> * WIEN 2k *<br> * user configuration *<br>
*********************************************************<br><br><br> Your user environment for WIEN users is now configured.<br><br> You have to restart your shell before the changes come<br> into effect (execute: . ~/.bashrc).<br>
<br> Start "w2web", define "user/password" and select a port. Then point<br> your web-browser to the proper address:PORT.<br><br> For proper usage of scfmonitor please add a line in ~/.Xdefaults :<br>
gnuplot*raise: off <br><br> We wish you GOOD LUCK with your calculations.<br> Your WIEN2k Team<br><br><br><br><div><br><div><br><br><br><br></div></div><div class="gmail_extra"><br><br><div class="gmail_quote">
2014-08-30 16:37 GMT+03:00 ayhan aykara <span dir="ltr"><<a href="mailto:ayhanaykara@gmail.com" target="_blank">ayhanaykara@gmail.com</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr"><div><div><div><div>Dear wien2k users , <br><br></div>I am one of the newest users so I have many problems about the program. Many times I have tried to set up it but I got error messages in every trying. The biggest problem that I have is this : <br>
<br> *******************************<br> * Changing compiler options *<br> *******************************<br><br> changing Makefile in SRC_lib/blas_lapw<br> changing Makefile in SRC_lib/lapack_lapw<br> No Makefile.orig in SRC_structeditor/SRC_lib, leaving directory.<br>
changing Makefile in SRC_structeditor/SRC_ncmsymmetry<br> changing Makefile in SRC_structeditor/SRC_readwrite<br> changing Makefile in SRC_structeditor/SRC_struct2mol<br> changing Makefile in SRC_structeditor/SRC_structgen<br>
changing Makefile in SRC_2Doptimize<br> changing Makefile in SRC_afminput<br> changing Makefile in SRC_aim<br> changing Makefile in SRC_arrows<br> changing Makefile in SRC_balsac-utils<br> changing Makefile in SRC_broadening<br>
changing Makefile in SRC_cif2struct<br> changing Makefile in SRC_clmaddsub<br> changing Makefile in SRC_clmcopy<br> changing Makefile in SRC_dipan<br> changing Makefile in SRC_dstart<br> changing Makefile in SRC_elast<br>
changing Makefile in SRC_eosfit<br> changing Makefile in SRC_eosfit6<br> changing Makefile in SRC_filtvec<br> changing Makefile in SRC_fsgen<br> changing Makefile in SRC_hf<br> changing Makefile in SRC_initxspec<br>
changing Makefile in SRC_irrep<br> changing Makefile in SRC_joint<br> changing Makefile in SRC_kgen<br> changing Makefile in SRC_kram<br> changing Makefile in SRC_lapw0<br> changing Makefile in SRC_lapw1<br>
changing Makefile in SRC_lapw2<br> changing Makefile in SRC_lapw3<br> changing Makefile in SRC_lapw5<br> changing Makefile in SRC_lapw7<br> changing Makefile in SRC_lapwdm<br> changing Makefile in SRC_lapwso<br>
changing Makefile in SRC_lcore<br> No Makefile.orig in SRC_lib, leaving directory.<br> changing Makefile in SRC_lorentz<br> changing Makefile in SRC_lstart<br> changing Makefile in SRC_mini<br> changing Makefile in SRC_mixer<br>
changing Makefile in SRC_nn<br> changing Makefile in SRC_optic<br> changing Makefile in SRC_optimize<br> changing Makefile in SRC_orb<br> changing Makefile in SRC_pairhess<br> changing Makefile in SRC_phonon<br>
changing Makefile in SRC_qtl<br> changing Makefile in SRC_reformat<br> changing Makefile in SRC_sgroup<br> changing Makefile in SRC_spacegroup<br> changing Makefile in SRC_spaghetti<br> No Makefile.orig in SRC_structeditor, leaving directory.<br>
changing Makefile in SRC_sumhfpara<br> changing Makefile in SRC_sumpara<br> changing Makefile in SRC_supercell<br> changing Makefile in SRC_symmetry<br> changing Makefile in SRC_symmetso<br> changing Makefile in SRC_telnes3<br>
No Makefile.orig in SRC_templates, leaving directory.<br> changing Makefile in SRC_tetra<br> changing Makefile in SRC_trig<br> changing Makefile in SRC_txspec<br> No Makefile.orig in SRC_usersguide_html, leaving directory.<br>
changing Makefile in SRC_vecpratt<br> No Makefile.orig in SRC_w2web, leaving directory.<br><br></div><br>Can you help me about SRC_lib ?<br><br><br><br></div>Yours faithfully <br><span class="HOEnZb"><font color="#888888"><br>
</font></span></div><span class="HOEnZb"><font color="#888888">Ayhan Aykara <br></font></span></div>
</blockquote></div><br></div></div>