[gmx-users] Gromacs job locks up computer (reproducibly)
lindahl at stanford.edu
Tue Aug 19 19:59:01 CEST 2003
If it's an amd,
1. Check if you can repeat it when compiling the standard gromacs
source (necessary for me to debug it, sorry :-)
2. cat /proc/cpuinfo and send it to me.
3. Try to find a file that crashes as soon as possible (30 minutes is
ok, 24 hours bad)
4. Describe it well as you can.
This is almost certainly a hardware problem in the AMD SSE
implementation. That is probably possible to work around, but the
results seem to change between different generations of the Athlon
CPUs, so it has been almost impossible for me to debug.
A fix (which will probably be an environment variable soon) is to edit
src/gmxlib/detectcpu.c and disable the SSE checking on your Athlon,
That way it will always use 3DNow, which is about 10% slower but rock
I'm sorry for the problems, but the Athlons and Pentiums are executing
*identical* code, and we've never seen a problem on the latter!
On Tuesday, August 19, 2003, at 09:45 AM, Marc Baaden wrote:
> it is not the 2GB problem.
> The files are all well below 1GB (around 500 MB).
> It seems some people have had similar behaviour
> on Athlon boxes .. ?
>>>> "Xavier Periole" said:
>>> That's sounds like the famous 2GB problem !! Files too big !!
>>> Cut your simulation in pieces !!!
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> Marc Baaden
> Dr. Marc Baaden - Institut de Biologie Physico-Chimique, Paris
> mailto:baaden at smplinux.de - http://www.marc-baaden.de
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