On Mon, Jun 05, 2017, Pengfei Li wrote:
> I have performed two simulations with the same random seed but got
> different results. Except the random seed, what are the other factors
> that influence the reproducibility of the MD simulation? Thanks!
> It was pemed.MPI. Both used 16 cpus.
There is a (brief) discussion of this as well on p. 24 of the 2017 Amber
Reference Manual.
...dac
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Received on Mon Jun 05 2017 - 08:00:05 PDT
