Hi Seok Yun, What are you trying to do? That corresponds to 16000 atoms. Can't you simplify your problem? A matrix like that (2500M floats) will pose a problem in any program.
Cheers, Tsjerk On Sun, Feb 17, 2013 at 10:50 AM, Mark Abraham <[email protected]> wrote: > On Fri, Feb 15, 2013 at 11:36 PM, SeokYun123 <[email protected]> wrote: > >> Hello! >> >> I'm trying to diagonalize the matrix by using g_covar. >> >> However my matrix is too large (50000x50000) so it won't diagonalize the >> matrix. >> >> Is there a different software or different command that I could try to use >> in order to diagonalize my matrix as quickly as possible? >> > > Not with GROMACS. You will need more memory or to review the size of your > problem. > > Mark > -- > gmx-users mailing list [email protected] > 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 [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Biocomputing Group Department of Biological Sciences 2500 University Drive NW Calgary, AB T2N 1N4 Canada -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
