[lammps-users] Comparison between computation time for thermal transport problems with MEAM and EAM potential

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1

Steve, LAMMPS users,
I notice while running thermal conductivity/transport simulations (copper for example), everything else remaining the same (domain size, total timesteps), the computation time while using the MEAM potential is significantly larger than while using the EAM (e.g. Cu_U6) potential.
I was wondering if this is something others have also encountered, and the reason for the increased computation time with the MEAM potential.

Thanks,
Sreekant

2

MEAM is "modified EAM", and the modifications involve
lots of additional calculations. So it is more expensive. Whether
it is optimized or not, I don't know. Maybe Greg Wagner can comment.

Steve