Molecular dynamics has become widely used to perform simulations of molecular
systems. We developed and validated analytical performance
model for short-range, N-body systems. We used this model to
quantify the communication latency and bandwidth needed in future, massively
parallel systems to achieve good efficiency on a modest-size, fixed problem.
This work provides insight into future scalable processor requirements.
This work is a collaboration with Rick Stevens of the MCS Devision at
Argonne National Laboratory.
