Timing in seconds for MbCO + 3830 water molecules (14026 atoms), 1000 steps 12-14 A shift on a HP-J200.

Nodes             1          2    

E ext 8245.0 4170.6 E int 76.2 51.8 Wait 0.0 146.7 Comm 0.1 32.3 List 1086.5 559.7 Integ 45.4 36.2 Total 9453.2 4997.3 Total(hours) 2.63 1.39 Eff 100.0% 94.6% Speedup 1.0 1.9

E ext : External energy terms (electrostatics + Lenard-Jones) E int : Internal energy terms (bond, angle, dihedral) Wait : Load unbalance Comm : Communication time (Vector Distr. Global {Sum,Brdcst}) List : Nonbond list generation time Integ : Time needed to integrate equations of motion Total : Total elapsed time Eff : Efficiency = speedup divided by number of nodes Speedup: Time for N nodes divided by time for one node.

Comments

Some other HP models:

C110(c24)            2.18 h
HP/735 (c25a2)       3.60 h

See HP WWW pages for more details

Note