Lammps — optimization runs

3 optimize runs recorded for lammps.

Runs

Task

Metric

Direction

Baseline

Best

Δ vs baseline

bond

Weighted median bond time (s)

lower

0.32627

0.21875

+32.95%

neighbor

Weighted median neigh time (s)

lower

0.36158

0.28487

+21.22%

tip4p

Weighted median pair plus kspace time (s)

lower

94.717

70.984

+25.06%