Hi, Mark Abraham wrote: > Lee Soin wrote: >> By invoking "uname -a": >> Linux sgi4700 2.6.16.46-0.12-default #1 SMP Thu May 17 14:00:09 UTC >> 2007 ia64 ia64 ia64 GNU/Linux >> >> I don't know any other command to retrieve system information. > > Hmm, that looks like an SGI Altix 4700. IA64 kernels work on those > machines. Well, not exactly. They work in combination with Gromacs version <= 3.3.x, but at least I have never managed to get them working with this year's CVS Gromacs or Gromacs 4.x - see also
http://www.gromacs.org/pipermail/gmx-developers/2008-February/002405.html The strange thing is that these inner loops have not changed since 3.3.x, so the problem might be somewhere else. But actually the Fortran loops have a quite decent performance on that machine compared to assembly: In a single-CPU test I did with gmx 3.3 they were just about 10% slower. Carsten > There have been issues over the years with GROMACS and various > Intel compilers for these machines. Do try different compiler versions > (I suggest icc 10 or higher) or gcc and see how fast things go. > > Mark > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php -- Dr. Carsten Kutzner Max Planck Institute for Biophysical Chemistry Theoretical and Computational Biophysics Department Am Fassberg 11 37077 Goettingen, Germany Tel. +49-551-2012313, Fax: +49-551-2012302 www.mpibpc.mpg.de/home/grubmueller/ www.mpibpc.mpg.de/home/grubmueller/ihp/ckutzne/ _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
