[gmx-users] MD simulation on 1 and 4 nodes

[Anton Feenstra]

Christoph Freudenberger wrote:
[...]
> But this is the general problem of MD, isn't it?
> You never (really) know, when you have simulated long enough...
> A trajectory of 1ns will be as good (or bad) if comes from
> 1 node or from 4 nodes.
> 
> As far as I understood it, this was the initial questions:
> Which of the two trajectories is the "correct" one?

They're both equally correct, as are all other possible combinations
of hardware (MIPS, Intel, AMD, Sparc, HP, IBM, Cray), operating system
(IRIX, Solaris, Linux, BSD, OSX), compiler version, compiler &
optimization options, c/fortran/assembly inner loops, libc version,
use of math libraries & versions, etc.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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