[gmx-users] Can I use more memory to speed up computa tion?

Yang Ye leafyoung81-group at yahoo.com
Wed Jan 3 14:46:23 CET 2007


There is no point for this "optimization" in the case of MD and GROMACS.
MD doesn't occupy much memory because for each atom, only six variables
(three coordinates and three velocities) are needed. Program code isn't
that complex, too. Except you have a on-die cache like this large,
memory size doesn't matter to the performance of MD.

Memory bandwidth is something matter. In recent post regarding Intel's
Core 2 Duo in quad-core configuration, it shows that the benchmark
doesn't double the dual-core configuration. It could be due to the
limiting memory bandwidth that Intel platform provides.

Yang Ye

On 12/26/2006 11:11 AM, intelandamd wrote:
> Dear all
> There are 1024MB memory available in my computer and I want to use
> more memory than default to speed up computation.Can I do that and
> what command should I use? Thank you!
> Kind Regards
> Yours
> Yang
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