Hi,
> Aggressive coalescence will give smaller bond parameter tables but may
> not run as fast because of poor cache behavior when the dynamics code
> is running?
> One set of parameters for every bond will give larger parameter tables
> but might run faster?
though I've been out this business for several years now, I'm positively
sure that the speed impact of anyting having to do with bonds is
negligible. Bonds time scales linearly with the number of atoms
involved. Even if you manage to increase bonds-speed 10-fold the impact
on total runtime will be negligible.
best,
Andreas
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Received on Sat Sep 24 2016 - 12:30:03 PDT
