[gmx-users] Tabulated potentials and performance

ms devicerandom at gmail.com
Tue Jul 20 15:22:50 CEST 2010

On 19/07/10 23:18, Lanyuan Lu wrote:
>> From our group's experience, there is a critical point for dramatic
> performance drop when one uses two many tables. The possible reason is that
> the size of tables exceeds the cache size. However, this only happens when
> the number of tables is beyond something like 50. The total table size for
> the critical point can depend on the hardware condition.

Thanks Lanyuan, good to know; 50 tables is about the order of magnitude 
that could come out in fact (well, it could be even 200, it depends).

I would love if any developer can comment on the issue too, since it 
seems complicated :)


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