[gmx-users] More Athlon talk
lindahl at stanford.edu
Wed Feb 19 22:06:23 CET 2003
> I am concerned about Athlons XP overheating and I am suggesting to
> at least PIV northwood. Xeon would be great, but only for those who
> afford it.
I've tested our dual Athlons rather carefully, and we have never, ever,
had a problem with single-cpu jobs (but we use ECC memory).
The CPU test-heat-program is also running great, so I think we can
safely rule out the possibility of a bug in Gromacs, since Pentiums
execute exactly the same code without any problems.
That leaves the SMP stuff; perhaps we can try to debug it together :-)
First, is anybody having RANDOM (i.e. not deterministic) problems when
not running in parallel? In that case we should probably have a look at
the linux kernel mailing list and see if people are aware of it, or if
there is a bugfix. Justin's problem sounds like it's overheating or
something, I'm rather thinking of minor quirks like getting slightly
different trajectories when you run a simulation twice (not complete
If/When those things work well we can start bugging the LAM authors or
compare LAM with MPICH.
I'm sitting at Stanford right now (AMD headquarters is 20 min away), so
if we really find out a problem that is more or less reproducible I
could try to get a technical contact with AMD.
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