From: Philip Peartree (P.Peartree_at_postgrad.manchester.ac.uk)
Date: Thu Oct 11 2007 - 16:03:34 CDT
That would be a good starting point!!! I was after something a bit more
realistic really, but I guess a water box would get some reasonably
representative results!
Phil
Quoting Richard Law <rlaw_at_hanyou.llnl.gov>:
>
> Why not just build a box of water with how ever many atoms you want
> to benchmark?
>
> Rich.
>
>
> On Thu, 11 Oct 2007, Philip Peartree wrote:
>
>> Hi,
>>
>> I'm currently benchmarking a Cray XT4 system with NAMD and I'd like
>> to get hold
>> of a large system... all my current simulations are less than 100000
>> atoms...
>> are there any larger benchmark systems that I can run? I've heard
>> that F1-ATP
>> synthase being used as a larger benchmark, could anyone point me in the
>> direction of input files for this, if there are any that is?
>>
>> Thanks
>>
>> Philip Peartree
>>
>
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