[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 


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