[gmx-users] Shake block errors with d.lzm
Mark Abraham
Mark.Abraham at anu.edu.au
Thu Jan 24 22:08:58 CET 2008
Ganesh CN wrote:
>> you can not use so many processors for such a small system in 3.3. In
>> 4.0 you will be able to do it.
>
> Thanks for your response David. Is it possible to scale up the
> problem size so that I can run it on 16 or more processes ?
Other than adding more waters as David suggested, no. The DPPC system is
the one intended for benchmarking scaling behaviour. See
http://www.gromacs.org/content/view/25/38/
Mark
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