On Tue, 23 Jan 2007, Konstantin Kudin wrote: KK> Dear Prashant, KK> KK> The question you are asking should be straightforward to figure out on KK> your own. Just grep through the source code (it is GPL and is KK> available), find all the instances of complex GEMM, and find those that KK> utilize the special case. KK> KK> Then you can report your findings back to the list.
good idea! and very useful, too. but sadly, that is only (the easy) half of the job. you also have to check the LAPACK subroutines that QE uses for the use of that problematic call, which is a bit messy since there are quite a few cross-calls from within lapack, so best is to check all of it. cheers, axel. KK> KK> Regards, KK> Kostya KK> KK> KK> --- Prashant Shevgaonkar <shevgaonkar at gmail.com> wrote: KK> KK> > Atlas has recently (20Nov06) reported an error in computation of KK> > complex KK> > GEMM (C = A*B +C) for the special case B = Atransp. KK> > ( KK> > KK> http://sourceforge.net/mailarchive/forum.php?thread_id=31031975&forum_id=434) KK> > How serious is this error and would this affect pwscf calculations? KK> > KK> > ------------------------------------------------------------------ KK> > Prashant Shevgaonkar, KK> > Chemical Engineering Department, KK> > Vishwakarma Institute of Technology, KK> > Pune, India 411 037 KK> > Email: shevgaonkar at gmail.com KK> > KK> KK> KK> KK> KK> ____________________________________________________________________________________ KK> Yahoo! Music Unlimited KK> Access over 1 million songs. KK> http://music.yahoo.com/unlimited KK> _______________________________________________ KK> Pw_forum mailing list KK> Pw_forum at pwscf.org KK> http://www.democritos.it/mailman/listinfo/pw_forum KK> -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
