<div dir="ltr">Dear Prof. P.Blaha Sir &amp; All wien2k Users<br><br>I used the same compiler and mkl adn I got typically the same problem. I moved to FC 11.0/083 that I used successfully before for Wien2k but got the same problem. I guess it is due to some shell configuration.<br>
<br>O A Yassin<br><br><div class="gmail_quote">2010/6/14 JUPHY SANJAY <span dir="ltr">&lt;<a href="mailto:juphysanjay@gmail.com">juphysanjay@gmail.com</a>&gt;</span><br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<div dir="ltr">Respected Prof. P.Blaha Sir &amp; All wien2k Users<br><div class="gmail_quote"><div dir="ltr">I installed wien2k latest version 10.1 with Intel fortan  compiler 11.1.072 and mkl 10.0.5.025.<br>last compilation message are given bellow<br>

<br><p style="margin-bottom: 0in;">ifort -c -FR -mp1 -w -prec_div -pc80
-pad -ip -DINTEL_VML -O3 -xP getlattype.f</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">ifort -c -FR -mp1 -w -prec_div -pc80
-pad -ip -DINTEL_VML -O3 -xP getsgnum.f</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">ifort -c -FR -mp1 -w -prec_div -pc80
-pad -ip -DINTEL_VML -O3 -xP getsgname.f</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">ifort -c -FR -mp1 -w -prec_div -pc80
-pad -ip -DINTEL_VML -O3 -xP getzz.f</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">ifort -c -FR -mp1 -w -prec_div -pc80
-pad -ip -DINTEL_VML -O3 -xP structgen.f</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">ifort -c -FR -mp1 -w -prec_div -pc80
-pad -ip -DINTEL_VML -O3 -xP scan_cif.f</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">ifort -c -FR -mp1 -w -prec_div -pc80
-pad -ip -DINTEL_VML -O3 -xP ciftbx.f</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">ifort -c -FR -mp1 -w -prec_div -pc80
-pad -ip -DINTEL_VML -O3 -xP hash_funcs.f</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">ifort -c -FR -mp1 -w -prec_div -pc80
-pad -ip -DINTEL_VML -O3 -xP test_sgname.f</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">ifort -c -FR -mp1 -w -prec_div -pc80
-pad -ip -DINTEL_VML -O3 -xP scan_in.f</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">ifort -c -FR -mp1 -w -prec_div -pc80
-pad -ip -DINTEL_VML -O3 -xP scan_octave.f</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">ifort -o ./structgen 
-L/opt/intel/Compiler/11.1/072/mkl/lib/32 -static -lsvml -lguide
-lpthread      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 scan_octave.o</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">Copying programs</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_afminput/afminput</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_aim/aim</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_aim/aimc</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_arrows/arrows</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_broadening/broadening</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_cif2struct/cif2struct</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_clmaddsub/clmaddsub</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_clmcopy/clmcopy</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_dipan/dipan</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_dstart/dstart</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_eosfit/eosfit</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_eosfit6/eosfit6</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_filtvec/filtvec</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_filtvec/filtvecc</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_initelnes/initelnes</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_initxspec/initxspec</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_irrep/irrep</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_joint/joint</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_kgen/kgen</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_kram/kram</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lapw0/lapw0</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lapw1/lapw1</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lapw1/lapw1c</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lapw2/lapw2</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lapw2/lapw2c</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lapw3/lapw3</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lapw3/lapw3c</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lapw5/lapw5</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lapw5/lapw5c</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lapw7/lapw7</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lapw7/lapw7c</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lapwdm/lapwdm</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lapwdm/lapwdmc</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lapwso/lapwso</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lcore/lcore</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lorentz/lorentz</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_lstart/lstart</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_mini/mini</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_mixer/mixer</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_nn/nn</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_optic/optic</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_optic/opticc</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_optimize/optimize</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_orb/orb</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_pairhess/pairhess</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_qtl/qtl</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_reformat/reformat</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_sgroup/sgroup</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_spacegroup/spacegroup</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_spaghetti/spaghetti</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_sumpara/sumpara</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_supercell/supercell</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_symmetry/symmetry</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_symmetso/symmetso</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_telnes2/telnes2</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_tetra/tetra</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_txspec/txspec</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_vecpratt/vecpratt</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_vecpratt/vecprattc</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  SRC_w2web/w2web</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">cp: `SRC_w2web/w2web&#39; and
`/home/wien/wien2k/w2web&#39; are the same file</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"> 
SRC_structeditor/SRC_ncmsymmetry/ncmsymmetry</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"> 
SRC_structeditor/SRC_readwrite/readwrite</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"> 
SRC_structeditor/SRC_struct2mol/struct2mol</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"> 
SRC_structeditor/SRC_structgen/structgen</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">done.</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">Compile time errors (if any) were:</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">Check file   compile.msg   in the
corresponding SRC_* directory for the 
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">compilation log and more info on any
compilation problem.</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     Press RETURN to continue</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  
*********************************************************</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">   *                        W I E N    
                   *</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">   *                  site
configuration                   *</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  
*********************************************************</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">      Last configuration: Mon Jun 14
12:18:27 IST 2010</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">                      Wien Version:
WIEN2k_10.1 (Release 7/6/2010)</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">                      System: linuxifc</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">      S   specify a system</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">      C   specify compiler</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">      O   specify compiler options,
BLAS and LAPACK</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">      P   configure Parallel execution</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">      D   Dimension Parameters</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">      R   Compile/Recompile</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">      U   Update a package</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">      L   Perl path (if not in
/usr/bin/perl)</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">      Q   Quit</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  Selection: q</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"> 
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"> 
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">    site_config_lapw done.</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">[wien@localhost wien2k]$
./userconfig_lapw</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">cp: cannot stat `/home/wien/.cshrc&#39;: No
such file or directory</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">cp: cannot stat `/home/wien/.cshrc&#39;: No
such file or directory</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">grep: /home/wien/.cshrc: No such file
or directory</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  
*********************************************************&quot;</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">   *                        WIEN 2k    
                   *&quot;</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">   *                  user
configuration                   *&quot;</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  
*********************************************************&quot;</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     Last configuration: Mon Jun 14
12:18:27 IST 2010</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">                      Wien Version:
WIEN2k_10.1 (Release 7/6/2010)</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">                      System: linuxifc</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     Setting up user: wien</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     Home directory:  /home/wien</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     Shell:           bash</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br></p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     Specify your prefered editor
(default is emacs):</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     editor shall be: 
</p>
<p style="margin-bottom: 0in;"><br>
</p><p style="margin-bottom: 0in;">     Set editor to  emacs (Y/n) 
</p><p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     Specify your prefered DATA
directory, where your cases should be 
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     stored (for  /home/wien/WIEN2k,
just enter RETURN key):</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     DATA directory: 
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     Set DATA directory to 
/home/wien/WIEN2k (Y/n) 
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"> trying to create /home/wien/WIEN2k ...</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     Specify your prefered scratch
directory, where big case.vector files</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     can be stored (Recommended is your
working dir., just enter RETURN key):</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     scratch directory: 
</p>
<p style="margin-bottom: 0in;"><br>
</p><p style="margin-bottom: 0in;">     Set scratch directory to  working
directory (Y/n) 
</p>
<p style="margin-bottom: 0in;"><br>
</p><p style="margin-bottom: 0in;">Specify your program to read pdf
files (default is acroread) 
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     (on some Linux systems use xpdf):</p><p style="margin-bottom: 0in;">     Set PDFREADER to  acroread (Y/n) 
</p><br><p style="margin-bottom: 0in;">!!!  The following lines will be added
to your .bashrc file if you continue !!!</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     A copy of your current .bashrc
will be saved under  .bashrc.savelapw!</p><p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"># added by WIEN2k: BEGIN</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">#
--------------------------------------------------------</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">alias lsi=&quot;ls -aslp *.in*&quot;</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">alias lso=&quot;ls -aslp *.ou*&quot;</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">alias lsd=&quot;ls -aslp *.def&quot;</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">alias lsc=&quot;ls -aslp *.cl*&quot;</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">alias lss=&quot;ls -aslp *.sc*&quot;</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">alias lse=&quot;ls -aslp *.error&quot;</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">alias pslapw=&quot;ps -ef |grep &quot;lapw&quot;&quot;</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">alias cdw=&quot;cd /home/wien/WIEN2k&quot;</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">export OMP_NUM_THREADS=1</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">#export LD_LIBRARY_PATH=.....</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">export EDITOR=&quot;emacs&quot;</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">export SCRATCH=./</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">export WIENROOT=/home/wien/wien2k</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">export
W2WEB_CASE_BASEDIR=/home/wien/WIEN2k</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">export
STRUCTEDIT_PATH=$WIENROOT/SRC_structeditor/bin</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">export PDFREADER=acroread</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">export
PATH=$PATH:$WIENROOT:$STRUCTEDIT_PATH:.</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">export OCTAVE_EXEC_PATH=${PATH}::</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">export OCTAVE_PATH=${STRUCTEDIT_PATH}::</p><p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">ulimit -s unlimited</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">alias octave=&quot;octave -p
$OCTAVE_PATH&quot;</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">#
--------------------------------------------------------</p>
<p style="margin-bottom: 0in;"><br>
</p><br><p style="margin-bottom: 0in;">     Do you want to continue (Y/n)? 
</p>
<p style="margin-bottom: 0in;"><br>
</p><p style="margin-bottom: 0in;">     *) adding aliases</p>
<p style="margin-bottom: 0in;"><br>
</p><p style="margin-bottom: 0in;">*) adding environment variables</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     *) adding path to wien programs
and set unlimited stacksize</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     done.</p><p style="margin-bottom: 0in;">     If you want to use k-point
parallel execution on a non-shared memory</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     system, you must be able to login
without specifying a password. 
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     When using   rsh  you should
modify your .rhosts file, if you are</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">     using   ssh  you must generate
(ssh-keygen) and transfer your  &quot;public keys&quot;.</p>
<p style="margin-bottom: 0in;"><br>
</p><p style="margin-bottom: 0in;">Edit .rhosts file now? (y/N) 
</p>
<p style="margin-bottom: 0in;"><br>
</p><p style="margin-bottom: 0in;">  
*********************************************************</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">   *                        WIEN 2k    
                   *</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">   *                  user
configuration                   *</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">  
*********************************************************</p><p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">   Your user environment for WIEN users
is now configured.</p>
<p style="margin-bottom: 0in;">
</p><p style="margin-bottom: 0in;">You have to restart your shell
before the changes come</p>
<p style="margin-bottom: 0in;">
</p>
<p style="margin-bottom: 0in;">   into effect (execute: . ~/.bashrc).</p><p style="margin-bottom: 0in;">Start &quot;w2web&quot;, define
&quot;user/password&quot; and select a port. Then point</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">   your web-browser to the proper
address:PORT.</p>

<p style="margin-bottom: 0in;"></p><p style="margin-bottom: 0in;">   For proper usage of scfmonitor
please add a line in ~/.Xdefaults :</p>

<p style="margin-bottom: 0in;">           gnuplot*raise: off 
</p>



<p style="margin-bottom: 0in;">   We wish you GOOD LUCK with your
calculations.</p>

<p style="margin-bottom: 0in;">   Your WIEN2k Team</p><p style="margin-bottom: 0in;">   
</p>

<p style="margin-bottom: 0in;"></p><p style="margin-bottom: 0in;">[wien@localhost wien2k]$ . ~/.bashrc</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">[wien@localhost wien2k]$ 
</p>
<br>Sir, When I put w2web command for creating user name and password then fllowing message shown<br>


        
        
        
        

<p style="margin-bottom: 0in;">[wien@localhost wien2k]$ w2web</p>

<p style="margin-bottom: 0in;">bash: /home/wien/wien2k/w2web: q: bad
interpreter: No such file or directory</p>
Sir, May I request you to guide me to resolve this problem.Sir I will be very grateful to you.<br><br>With Kind Regards And Thanks<br clear="all"><br>SANJAY KUMAR SINGH.<br>Research Scholar.<br>Condensed Matter Theory Group.<br>



School Of Studies In Physics.<br>Jiwaji University.<br>Gwalior (M.P)– 474 011.<br> India.<br>
</div>
</div></div>
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