<p>If you made an error in the compilation you would see errors when you compiled. Did you, and then ignore them? Did a normal run of TiC for instance work?I</p>
<p>More likely is an initialisation error.</p>
<p>N.B. I assume that the "..." in your options is just because you shortened the line in the email. Also, do you really have a 32 bit machine? Your options look strange.</p>
<p>---------------------------<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a> 1-847-491-3996<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi<br>
</p>
<div class="gmail_quote">On Mar 12, 2013 7:45 AM, "mouhamed mahdi" <<a href="mailto:mouh2009@gmail.com">mouh2009@gmail.com</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<div dir="ltr">>You made an error initializing an mBJ calculation.<br>
not at all<br>
>Please read the corresponding UG section carefully.<br>
PLZ ..this is not the point<br>
i think that i made a mistake in compiling wien2k ; I have used this option in it:<br>
<p><span style="font-family:"Courier New"" lang="EN-US">O<span>
</span>Compiler options:<span> </span>-w90 -FR -O3 -mp1 -w -prec_div -pad -align -DINTEL_VML -traceback -I/opt.../lib/32 -I/opt/.../mkl/include -I/usr/local/include -I/opt/intel.../include/fftw -DFFTW3<br>
<span> </span>L<span> </span>Linker Flags:<span>
</span>-L/opt/intel/Compiler/11.1/073/lib -i-static -lguide_stats -lpthread<br>
<span> </span>P<span> </span>Preprocessor flags<span>
</span>'-DParallel'<br>
<span> </span>R<span> </span>R_LIB (LAPACK+BLAS):<span>
</span>-L/opt/intel/Compiler/11.1/073/mkl/lib/32 -lmkl_lapack95 -lmkl_intel -lmkl_intel_thread -lmkl_core -lmkl_blacs -lmkl_blas95 -lpthread -lguide -L/opt/local/fftw3/lib/ -lfftw3</span></p>
<p><span style="font-family:"Courier New"" lang="EN-US">i don't know where is my error</span><br>
</p>
</div>
</div>
</blockquote></div>