Re: how to get 2 identical trajectories using NAMD in parallel

From: gaillard_at_chimie.u-strasbg.fr
Date: Fri Dec 12 2008 - 10:49:47 CST

Vlad Cojocaru <Vlad.Cojocaru_at_eml-r.villa-bosch.de> a écrit :

> Dear NAMD users,
>
> Is it possible whatsoever to obtain 2 identical trajectories in NAMD
> when running in parallel ?
>
> I am interested to get 2 identical trajectories in the NVE or NVT
> ensemble if I use same seed, the same number of processors but not the
> same machines for instance ...
>
> Its long to explain why I want to get this but if somebody knows any
> trick that could do it, I would be grateful .. I guess NVT would be
> rather hard but even in NVE I don't get 2 identical trajectories ...
>
> Cheers
> vlad

If you run in NVE on a single processor, it should be possible. As
said before on this list, in parallel you will not be able to obtain
identical trajectories even without random friction and with the same
seed.

Thomas Gaillard

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