Dear Dr. Blaha,<br><br>Thanks for your reply.<br>I have tested it for some examples including TiC, Rutile TiO2.<br>and in all cases, it has failed to run any more.<br><br>Yours,<br><br><br><br><div class="gmail_quote">On Fri, Oct 22, 2010 at 10:37 AM, Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">First of all, you should always upgrade to the latest WIEN2k version.<br>
<br>
Second: You do not tell us any detail about the calculations. Is this TiC ?<br>
Could you run anything and only one particular case produces an error ?<br>
<br>
Nobody can help you without details.<br>
<br>
Am 21.10.2010 19:56, schrieb mohaddeseh abbasnejad:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div><div></div><div class="h5">
<br>
Dear users,<br>
<br>
I have installed wien version 9 successfully (without any error) on my computer (Linux CentOs 5.4, 2.6.18-164.el5 # x86_64 GNU/Linux), fortran compiler ifort 10, using these<br>
commands:<br>
<br>
O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback<br>
L Linker Flags: $(FOPT) -L/opt/intel/mkl/9.0/lib/em64t -lpthread<br>
P Preprocessor flags '-DParallel'<br>
R R_LIB (LAPACK+BLAS): -lmkl_lapack64 -lmkl_em64t -lguide -lvml -pthread<br>
<br>
However, as I try to run the program by run_lapw, I receive this error and it stops.<br>
<br>
LAPW0 END<br>
forrtl: severe (71): integer divide by zero<br>
Image PC Routine Line Source<br>
lapw1 0000000000489A36 Unknown Unknown Unknown<br>
lapw1 0000000000489C34 Unknown Unknown Unknown<br>
lapw1 00000000004813E8 Unknown Unknown Unknown<br>
lapw1 0000000000427454 hamilt_ 375 hamilt_tmp_.F<br>
lapw1 0000000000415210 calkpt_ 156 calkpt_tmp_.F<br>
lapw1 0000000000443D87 MAIN__ 60 lapw1_tmp_.F<br>
lapw1 000000000040C242 Unknown Unknown Unknown<br>
libc.so.6 00000034FCA1D994 Unknown Unknown Unknown<br>
lapw1 000000000040C169 Unknown Unknown Unknown<br>
<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
stop error<br>
</blockquote>
<br>
I was wondering if anyone could help me.<br>
Thanks in advance.<br>
<br>
Best regards,<br>
---------------------------------------------------------<br>
<br>
Mohaddeseh Abbasnejad,<br>
Room No. 323, Department of Physics,<br>
University of Tehran, North Karegar Ave.,<br>
Tehran, P.O. Box: 14395-547- IRAN<br>
Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781<br>
Cellphone: +98 917 731 7514<br></div></div>
E-Mail: <a href="mailto:m.abbasnejad@gmail.com" target="_blank">m.abbasnejad@gmail.com</a> <mailto:<a href="mailto:m.abbasnejad@gmail.com" target="_blank">m.abbasnejad@gmail.com</a>><div class="im"><br>
Website: <a href="http://physics.ut.ac.ir" target="_blank">http://physics.ut.ac.ir</a><br>
<br>
---------------------------------------------------------<br>
<br>
<br>
<br></div>
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</blockquote>
<br>
-- <br>
<br>
P.Blaha<br>
--------------------------------------------------------------------------<br><font color="#888888">
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698<br>
Email: <a href="mailto:blaha@theochem.tuwien.ac.at" target="_blank">blaha@theochem.tuwien.ac.at</a> WWW: <a href="http://info.tuwien.ac.at/theochem/" target="_blank">http://info.tuwien.ac.at/theochem/</a><br>
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</font></blockquote></div><br><br clear="all"><br>-- <br>---------------------------------------------------------<br><br>Mohaddeseh Abbasnejad, <br>Room No. 323, Department of Physics, <br>University of Tehran, North Karegar Ave.,<br>
Tehran, P.O. Box: 14395-547- IRAN <br>Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781<br>Cellphone: +98 917 731 7514<br>E-Mail: <a href="mailto:m.abbasnejad@gmail.com" target="_blank">m.abbasnejad@gmail.com</a><br>
Website: <a href="http://physics.ut.ac.ir" target="_blank">http://physics.ut.ac.ir</a><br><br>---------------------------------------------------------<br><br>