[gmx-users] mdrun doesn't run in version 4.0 on sgi server

Martin Höfling martin.hoefling at gmx.de
Mon Oct 27 09:42:34 CET 2008

Am Sonntag, 26. Oktober 2008 schrieb Lee Soin:
> Everything works fine by setting NOASSEMBLYLOOPS. Thanks!
> 2008/10/26 Mark Abraham <Mark.Abraham at anu.edu.au>
> > Lee Soin wrote:
> >> Single CPU run. These are the last lines of the log file:
> >
> >  Configuring nonbonded kernels...
> >
> >> Testing ia64 CPU family...Unknown Itanium
> >> You might want to test the speed without assembly kernels
> >> by setting the NOASSEMBLYLOOPS environment variable.
> >
> > Try that... My guess is that the ia64 kernel isn't working on your
> > machine, for some unknown reason.

Well, I assume that it runs on an Itanium Montecito cores - here we have the 
same issue. AFAIR there was a discussion in February on the list that this 
will not be fixed so soon. Anyways - intel fortran compilers on itanium 
probably will give you a pretty good performance compared to assembly 


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