It is in the userguide/release notes On Wed, Jul 25, 2012 at 10:42 AM, Saeid Jalali <s_jalali_a at yahoo.com> wrote: > Hi Laurence, > Thank you for your prompt reply. > The problem is fixed by changing the -DFFTW3 to -DFFTW2! > How did you find that? > > Sincerely yours, > S. Jalali > /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ > Saeid Jalali Asadabadi, > Department of Physics, Faculty of Science, > University of Isfahan (UI), Hezar Gerib Avenue, > 81744 Isfahan, Iran. > Phones: > Dep. of Phys. :+98-0311-793 2435 > Office :+98-0311-793 4776 > Fax No. :+98-0311-793 4800 > E-mail :sjalali at phys.ui.ac.ir > :sjalali at sci.ui.ac.ir > :sjalali at mailaps.org > :saeid.jalali.asadabadi at gmail.com > :s_jalali_a at yahoo.com > Homepage :http://sci.ui.ac.ir/~sjalali > www :http://www.ui.ac.ir > /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ > > ________________________________ > From: Laurence Marks <L-marks at northwestern.edu> > To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> > Sent: Wednesday, July 25, 2012 7:52 PM > Subject: Re: [Wien] SRC_lapw0/compile.msg in WIEN2k_12.1 > > Did you use -DFFTW2 in the parallel compile options? The first time > around I forgot, but when I added this there were no problems. > > On Wed, Jul 25, 2012 at 10:19 AM, Saeid Jalali <s_jalali_a at yahoo.com> > wrote: >> Hi Peter, >> 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. >> 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: >> fft_modules.o: In function `fftw_parallel_mp_prepare_parallel_ffts_': >> fft_modules.F:(.text+0x43): undefined reference to `fftw_mpi_init' >> fft_modules.F:(.text+0xfe): undefined reference to >> `fftw_mpi_local_size_3d_f03' >> fft_modules.F:(.text+0x10f): undefined reference to `fftw_alloc_complex' >> fft_modules.o: In function `fftw_parallel_mp_c3fft_': >> fft_modules.F:(.text+0xcf0): undefined reference to `fftw_mpi_execute_dft' >> fft_modules.F:(.text+0x198b): undefined reference to >> `fftw_mpi_execute_dft' >> fft_modules.F:(.text+0x3639): undefined reference to >> `fftw_mpi_plan_dft_3d_f03' >> fft_modules.F:(.text+0x42e9): undefined reference to >> `fftw_mpi_plan_dft_3d_f03' >> make[1]: *** [lapw0_mpi] Error 1 >> make[1]: Leaving directory `/usr/local/codes/wien2k/v12.1/SRC_lapw0' >> make: *** [para] Error 2 >> >> The SRC_x/compile.msg files are free of any errors apart from x=lapw0. >> 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. >> 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? >> >> Sincerely yours, >> S. Jalali >> /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ >> Saeid Jalali Asadabadi, >> Department of Physics, Faculty of Science, >> University of Isfahan (UI), Hezar Gerib Avenue, >> 81744 Isfahan, Iran. >> Phones: >> Dep. of Phys. :+98-0311-793 2435 >> Office :+98-0311-793 4776 >> Fax No. :+98-0311-793 4800 >> E-mail :sjalali at phys.ui.ac.ir >> :sjalali at sci.ui.ac.ir >> :sjalali at mailaps.org >> :saeid.jalali.asadabadi at gmail.com >> :s_jalali_a at yahoo.com >> Homepage :http://sci.ui.ac.ir/~sjalali >> www :http://www.ui.ac.ir >> /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ >> >> ________________________________ >> From: Peter Blaha <pblaha at theochem.tuwien.ac.at> >> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> >> Sent: Wednesday, July 25, 2012 6:14 PM >> Subject: Re: [Wien] Wien2k 12 >> >> It has an expand_lapw.gz >> >> which is unzipped by gunzip *.gz >> >> >> Am 25.07.2012 11:16, schrieb Jameson Maibam: >>> Dear Prof Blaha, >>> the new upgraded WIEN2k 12 does not have the executable file >>> (expand_lapw). Is it replaced by another name. >>> Yours sincerely >>> Jameson Maibam >>> Assam University >>> >>> >>> _______________________________________________ >>> Wien mailing list >>> Wien at zeus.theochem.tuwien.ac.at >>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >>> >> >> -- >> >> P.Blaha >> -------------------------------------------------------------------------- >> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna >> Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 >> Email: blaha at theochem.tuwien.ac.at WWW: >> http://info.tuwien.ac.at/theochem/ >> -------------------------------------------------------------------------- >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> >> > > > > -- > Professor Laurence Marks > Department of Materials Science and Engineering > Northwestern University > www.numis.northwestern.edu 1-847-491-3996 > "Research is to see what everybody else has seen, and to think what > nobody else has thought" > Albert Szent-Gyorgi > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > >
-- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu 1-847-491-3996 "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi
