[CP2K:5122] Re: how to improve CP2K scaling for small systems

Alin Marin Elena alinm... at gmail.com
Mon Mar 31 09:28:27 UTC 2014

Thanks I will give it a spin these days.

I do not have access to the memory banks.

On 31 Mar 2014 10:08, "labicia" <lab... at yahoo.it> wrote:

> Please, find attached the requested file.
> If you have the chance, it will be good to see the scaling per core.
> But even more interesting it would be to see the scaling per memory
> channel, keeping the number of cores fixed to the maximum available. This
> is a bit more tricky, though, and requires physical access to the computer
> ram.
> 1) Remove all RAM banks apart from the ones belonging to channel 1. At
> this point, the amount of RAM available (in channel 1) becomes the limiting
> factor to launch the ZIF8 simulation. If needed, one has to decrease the
> CUTOFF until the simulation can be performed, and store its timing.
> 2) Populate also the RAM second channel and repeat the simulation.
> 3) Do the same for channel 3 and then for channel 4.
> It will be interesting to see how the timing evolves.
> Thanks a lot,
> Marco and Andrea
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