[gmx-users] RAM memory

zazeri zazeri at yahoo.com.br
Wed Feb 13 02:25:11 CET 2008

I’m working with membrane-peptide simulations of
~30,000 atoms. The box features are 2 quad-core
processors 2.00 GHz, 2x6MB Cache L2 and 1333 MHz FSB.
As I said, I read an E. Lindahl’s presentation from
Gromacs Workshop 2007 Talks. That says “Gromacs
normally uses 256MB to 1GB per process, depending on
the system”, so I believe 4GB are enough for my
purposes. At same time, Lindahl says 8GB is
recommended to dual quad-core.... The real problem is
the cost to duplicate the amount of memory. However,
I’m gonna pay (literally) to see! :)
Thanx Mark.

--- Mark Abraham <Mark.Abraham at anu.edu.au> escreveu:

> zazeri wrote:
> > Are 4GB of RAM memory enough to run the gromacs
> with
> > the maximum performance in a computer with dual
> > quad-core processors? If the performance is
> smaller,
> > is the decreasing significant?
> > 
> > I´ve read in somewhere Erik Lindahl suggesting
> 8GB... 
> It depends how big your simulation systems will be.
> Cache size, number 
> of cache levels and bus speed can all also be
> factors in memory-latency 
> issues. Any other load on the machine will also be
> an issue. Thus it's 
> hard to give even a vague answer on the above
> information. The only real 
> test is to get the hardware and try it. If you're
> possibly buying lots 
> of boxes, a vendor might let you have a trial.
> Mark
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