[lammps-users] LAMMPS performance with AIREBO potential

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1

Hello to all,

Has anybode done a performance analysis with the AIREBO potential? I wolud be very interested in.
I have done some test and it seems dificult to reach a factor on the order of 1e-6 seg/(atom*interaction)
or how many atoms and processors are needed to get this factor?

Thanks!

Diego

2

I don't know of any benchmarks for AI-REBO. Since LJ
is about 1 microsec per atom per timestep, I doubt you will
get AI-REBO to be that fast. It is much more expensive.

Steve