<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div><span>Hi Peter,</span></div><div><span>I compiled the new version of the code, WIEN2k_12.1, using mpich-1.2.7p1, fftw-2.1.5, intel composerxe-2011.2.137. <br></span></div><div><span>I got the following error, as can be seen at the end of the SRC_lapw0/compile.msg file which is attached to this email, ONLY in the lapw0:</span></div><div><span><div>fft_modules.o: In function `fftw_parallel_mp_prepare_parallel_ffts_':</div><div>fft_modules.F:(.text+0x43): undefined reference to `fftw_mpi_init'</div><div>fft_modules.F:(.text+0xfe): undefined reference to `fftw_mpi_local_size_3d_f03'</div><div>fft_modules.F:(.text+0x10f): undefined reference to `fftw_alloc_complex'</div><div>fft_modules.o: In function `fftw_parallel_mp_c3fft_':</div><div>fft_modules.F:(.text+0xcf0): undefined reference to
`fftw_mpi_execute_dft'</div><div>fft_modules.F:(.text+0x198b): undefined reference to `fftw_mpi_execute_dft'</div><div>fft_modules.F:(.text+0x3639): undefined reference to `fftw_mpi_plan_dft_3d_f03'</div><div>fft_modules.F:(.text+0x42e9): undefined reference to `fftw_mpi_plan_dft_3d_f03'</div><div>make[1]: *** [lapw0_mpi] Error 1</div><div>make[1]: Leaving directory `/usr/local/codes/wien2k/v12.1/SRC_lapw0'</div><div>make: *** [para] Error 2</div><div><br></div><div>The SRC_x/compile.msg files are free of any errors apart from x=lapw0.</div><div>There are no such errors in the WIEN2k_11.1. The lapw0 of the WIEN2k_11.1 is compiled and the whole of the code works smoothly. </div><div>Is something changed in the lapw0 of the new version so that we must consider additional tasks for compiling the mpi version of the code? </div></span></div><div> </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> Peter Blaha <pblaha@theochem.tuwien.ac.at><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 6:14 PM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [Wien] Wien2k 12<br> </font> </div> <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 (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: 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> </div> </div> </div></body></html>