[gmx-users] install gromacs on ia64 system
lindahl at sbc.su.se
Wed Mar 30 14:08:50 CEST 2005
> Any news from the itanium assembly loops ?? Last time I tested the CVS
> version, I reported strong kinetic energy oscillations in double
> precision, and explosions in single precision... The performance gain
> was about 40% on my system, so it is really worth trying.
There was a bug in the detection a bit after the first version was
added (fixed about a week later), but I don't know of any direct bugs
in the current version(s).
Please try the latest version, and if the bug is still there send us a
1. The exact version (i.e. date when you did "cvs update" if it was
2. A tpr file (or input files to create it) that reproduces it
(preferrably at step 0 or after a couple of steps).
> Publishing a list of optimal compilation flags for the itanium2 would
> be a good idea, too.
I _think_ it should be autodetected, but it might depend on your
compiler - Intel have been changing the output we use to detect theirs.
In any case, -O3 should do most of it.
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