<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Hi <span class="Apple-style-span" style="font-family: Arial; font-size: 13px; ">Laurence,</span></div><div><span class="Apple-style-span" style="font-family: Arial; font-size: 13px; "><span class="Apple-style-span" style="font-family: 'times new roman', 'new york', times, serif; font-size: 16px; ">Thank you for your prompt reply.</span><br></span></div><div><span class="Apple-style-span" style="font-family: Arial; font-size: 13px; ">The problem is fixed by changing the </span>-DFFTW3 to -DFFTW2!</div><div>How did you find that?</div><div> <br></div><div>Sincerely yours,<br>S. Jalali<br>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<br>Saeid Jalali Asadabadi,<br>Department of Physics, Faculty of Science,<br>University of Isfahan (UI), Hezar Gerib Avenue,<br>81744 Isfahan, Iran.<br>Phones:<br>Dep. of
Phys. :+98-0311-793 2435<br>Office :+98-0311-793 4776<br>Fax No. :+98-0311-793 4800<br>E-mail :<a rel="nofollow" target="_blank" href="mailto:sjalali@phys.ui.ac.ir">sjalali@phys.ui.ac.ir</a><br> :<a rel="nofollow" target="_blank" href="mailto:sjalali@sci.ui.ac.ir">sjalali@sci.ui.ac.ir</a><br> :<a rel="nofollow" target="_blank" href="mailto:sjalali@mailaps.org">sjalali@mailaps.org</a><br> :<a rel="nofollow" target="_blank" href="mailto:saeid.jalali.asadabadi@gmail.com">saeid.jalali.asadabadi@gmail.com</a><br>
:<a rel="nofollow" target="_blank" href="mailto:s_jalali_a@yahoo.com">s_jalali_a@yahoo.com</a><br>Homepage :<a rel="nofollow" target="_blank" href="http://sci.ui.ac.ir/%7Esjalali">http://sci.ui.ac.ir/~sjalali</a><br>www :<a rel="nofollow" target="_blank" href="http://www.ui.ac.ir/">http://www.ui.ac.ir</a><br>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<br><br></div> <div style="font-size: 12pt; font-family: 'times new roman', 'new york', times, serif; "> <div style="font-size: 12pt; font-family: 'times new roman', 'new york', times, serif; "> <div dir="ltr"> <font size="2" face="Arial"> <hr size="1"> <b><span style="font-weight:bold;">From:</span></b> Laurence Marks <L-marks@northwestern.edu><br> <b><span style="font-weight: bold;">To:</span></b> A Mailing list for WIEN2k users
<wien@zeus.theochem.tuwien.ac.at> <br> <b><span style="font-weight: bold;">Sent:</span></b> Wednesday, July 25, 2012 7:52 PM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [Wien] SRC_lapw0/compile.msg in WIEN2k_12.1<br> </font> </div> <br>
Did you use -DFFTW2 in the parallel compile options? The first time<br>around I forgot, but when I added this there were no problems.<br><br>On Wed, Jul 25, 2012 at 10:19 AM, Saeid Jalali <<a ymailto="mailto:s_jalali_a@yahoo.com" href="mailto:s_jalali_a@yahoo.com">s_jalali_a@yahoo.com</a>> wrote:<br>> Hi Peter,<br>> I compiled the new version of the code, WIEN2k_12.1, using mpich-1.2.7p1,<br>> fftw-2.1.5, intel composerxe-2011.2.137.<br>> I got the following error, as can be seen at the end of the<br>> SRC_lapw0/compile.msg file which is attached to this email, ONLY in the<br>> lapw0:<br>> fft_modules.o: In function `fftw_parallel_mp_prepare_parallel_ffts_':<br>> fft_modules.F:(.text+0x43): undefined reference to `fftw_mpi_init'<br>> fft_modules.F:(.text+0xfe): undefined reference to<br>> `fftw_mpi_local_size_3d_f03'<br>> fft_modules.F:(.text+0x10f): undefined reference to `fftw_alloc_complex'<br>> fft_modules.o:
In function `fftw_parallel_mp_c3fft_':<br>> fft_modules.F:(.text+0xcf0): undefined reference to `fftw_mpi_execute_dft'<br>> fft_modules.F:(.text+0x198b): undefined reference to `fftw_mpi_execute_dft'<br>> fft_modules.F:(.text+0x3639): undefined reference to<br>> `fftw_mpi_plan_dft_3d_f03'<br>> fft_modules.F:(.text+0x42e9): undefined reference to<br>> `fftw_mpi_plan_dft_3d_f03'<br>> make[1]: *** [lapw0_mpi] Error 1<br>> make[1]: Leaving directory `/usr/local/codes/wien2k/v12.1/SRC_lapw0'<br>> make: *** [para] Error 2<br>><br>> The SRC_x/compile.msg files are free of any errors apart from x=lapw0.<br>> There are no such errors in the WIEN2k_11.1. The lapw0 of the WIEN2k_11.1 is<br>> compiled and the whole of the code works smoothly.<br>> Is something changed in the lapw0 of the new version so that we must<br>> consider additional tasks for compiling the mpi version of the code?<br>><br>> Sincerely
yours,<br>> S. Jalali<br>> /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<br>> Saeid Jalali Asadabadi,<br>> Department of Physics, Faculty of Science,<br>> University of Isfahan (UI), Hezar Gerib Avenue,<br>> 81744 Isfahan, Iran.<br>> Phones:<br>> Dep. of Phys. :+98-0311-793 2435<br>> Office :+98-0311-793 4776<br>> Fax No. :+98-0311-793 4800<br>> E-mail :<a ymailto="mailto:sjalali@phys.ui.ac.ir" href="mailto:sjalali@phys.ui.ac.ir">sjalali@phys.ui.ac.ir</a><br>> :<a ymailto="mailto:sjalali@sci.ui.ac.ir" href="mailto:sjalali@sci.ui.ac.ir">sjalali@sci.ui.ac.ir</a><br>> :<a
ymailto="mailto:sjalali@mailaps.org" href="mailto:sjalali@mailaps.org">sjalali@mailaps.org</a><br>> :<a ymailto="mailto:saeid.jalali.asadabadi@gmail.com" href="mailto:saeid.jalali.asadabadi@gmail.com">saeid.jalali.asadabadi@gmail.com</a><br>> :<a ymailto="mailto:s_jalali_a@yahoo.com" href="mailto:s_jalali_a@yahoo.com">s_jalali_a@yahoo.com</a><br>> Homepage :http://sci.ui.ac.ir/~sjalali<br>> www :http://www.ui.ac.ir<br>> /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<br>><br>> ________________________________<br>> From: Peter Blaha <<a ymailto="mailto:pblaha@theochem.tuwien.ac.at"
href="mailto:pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</a>><br>> To: A Mailing list for WIEN2k users <<a ymailto="mailto:wien@zeus.theochem.tuwien.ac.at" href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>> Sent: Wednesday, July 25, 2012 6:14 PM<br>> Subject: Re: [Wien] Wien2k 12<br>><br>> It has an expand_lapw.gz<br>><br>> which is unzipped by gunzip *.gz<br>><br>><br>> Am 25.07.2012 11:16, schrieb Jameson Maibam:<br>>> Dear Prof Blaha,<br>>> the new upgraded WIEN2k 12 does not have the executable file<br>>> (expand_lapw). Is it replaced by another name.<br>>> Yours sincerely<br>>> Jameson Maibam<br>>> Assam University<br>>><br>>><br>>> _______________________________________________<br>>> Wien mailing list<br>>> <a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at"
href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br>>><br>><br>> --<br>><br>> P.Blaha<br>> --------------------------------------------------------------------------<br>> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>> Phone: +43-1-58801-165300 FAX: +43-1-58801-165982<br>> Email: <a ymailto="mailto:blaha@theochem.tuwien.ac.at" href="mailto:blaha@theochem.tuwien.ac.at">blaha@theochem.tuwien.ac.at</a> WWW:<br>> http://info.tuwien.ac.at/theochem/<br>> --------------------------------------------------------------------------<br>> _______________________________________________<br>> Wien mailing list<br>>
<a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>> <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>><br>><br><br><br><br>-- <br>Professor Laurence Marks<br>Department of Materials Science and Engineering<br>Northwestern University<br><a target="_blank" 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<br>nobody else has thought"<br>Albert Szent-Gyorgi<br>_______________________________________________<br>Wien mailing list<br><a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br><a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien"
target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br><br><br> </div> </div> </div></body></html>