No, I'm not able to use them im parallel mode, but they work without problems in sequential mode.
Am 26.07.2012 10:03, schrieb Laurence Marks: > The mkl interface/routines for mpi are fixed? There have been problems with > earlier mkl versions. > > --------------------------- > Professor Laurence Marks > Department of Materials Science and Engineering > Northwestern University > www.numis.northwestern.edu <http://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 > > On Jul 26, 2012 2:57 AM, "Peter Blaha" <pblaha at theochem.tuwien.ac.at > <mailto:pblaha at theochem.tuwien.ac.at>> wrote: > > Or by putting the correct path and library-names into the R_LIBS field: > > -L/opt/local/fftw/lib/ -lfftw_mpi -lfftw > > ---> -L/path-where-fftw3-is-installed -lfftw3_mpi -lfftw3 > > PS: For best performance on Intel-systems in sequential mode, see the > comment in > the UG Chapter 11.1.1 about the mkl interface to fftw2xf (or fftw3xf) > > Am 25.07.2012 17:42, schrieb Saeid Jalali: > > 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 <mailto:sjalali at > phys.ui.ac.ir> <mailto:sjalali at phys.ui.ac.ir <mailto:sjalali at > phys.ui.ac.ir>> > > :sjalali at sci.ui.ac.ir <mailto:sjalali at > sci.ui.ac.ir> <mailto:sjalali at sci.ui.ac.ir <mailto:sjalali at > sci.ui.ac.ir>> > > :sjalali at mailaps.org <mailto:sjalali at > mailaps.org> <mailto:sjalali at mailaps.org <mailto:sjalali at mailaps.org>> > > :saeid.jalali.asadabadi at gmail.com > <mailto:saeid.jalali.asadabadi at gmail.com> <mailto:saeid.jalali.asadabadi > at gmail.com > <mailto:saeid.jalali.asadabadi at gmail.com>> > > :s_jalali_a at yahoo.com <mailto:s_jalali_a at > yahoo.com> <mailto:s_jalali_a at yahoo.com <mailto:s_jalali_a at yahoo.com>> > > Homepage :http://sci.ui.ac.ir/~sjalali > <http://sci.ui.ac.ir/%7Esjalali> > > www :http://www.ui.ac.ir <http://www.ui.ac.ir/> > > /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ > > -- > > 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 <mailto:blaha at > theochem.tuwien.ac.at> WWW: http://info.tuwien.ac.at/theochem/ > -------------------------------------------------------------------------- > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at <mailto:Wien at > zeus.theochem.tuwien.ac.at> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > > > _______________________________________________ > 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/ --------------------------------------------------------------------------
