Hi, This was only a note, not a fix. I was just trying to say that what linear algebra library you use for Gromacs is irrelevant in more than 99% of the cases. But having said that, the choice of library should not complicate the configure stage of Gromacs.
Cheers, Berk ---------------------------------------- > Date: Thu, 7 Mar 2013 14:54:39 +0200 > From: eyurt...@abo.fi > To: gmx-users@gromacs.org > Subject: RE: [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA > detection problems... > > > > On Thu, 7 Mar 2013, Berk Hess wrote: > > > > > Hi, > > > > Note that the linear algebra in Gromacs is limited to eigenvalue solving in > > two analysis tools, > > the MD engine does not use any (large) linear algebra. > > So linear algebra library performance is irrelevant, except for the cases > > where users > > would want to repeated uses one of the two tools with large systems. > > Even then, our built-in code is not bad. > > > > Cheers, > > > > Berk > > Hello, > > I am not sure what you are suggesting as a fix to the problem? Do you mean > the support for ATLAS should/will be removed as a fix because it is not > very useful performancewise (and non-functional) anyway? > > Thanks, > Evren > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
