[gmx-users] GROMACS in parallel on Dual CPU Linux machine

Erik Lindahl lindahl at stanford.edu
Tue May 20 02:39:00 CEST 2003

Hi Pratul,

I think most dual AMD motherboards require registered ECC DDR memory. 
Or rather: the vendors don't support any other configuration. Are you 
sure you have something else?

If you get the machine running and the memory seems ok (try the 
excellent program memtest86) I don't think Gromacs will have any 
special issues with it.

One idea that just struck me is that there might be issues with memory 
references when both CPUs access the same memory region on dual Athlon 
boxes, but that is not specific to Gromacs; perhaps the LAM-MPI 
developers know these things better...

Are your problems repeatable or purely random?



On Monday, May 19, 2003, at 05:24  PM, Pratul K. Agarwal wrote:

> I have just been informed that on dual AMD boxes 'registered
> ECC DDR' makes it possible to run mdrun in parallel. Is
> anybody aware of a workaround?
> Thanks!
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