nwARGOS ocean benchmark
Molecular dynamics simulation of 27,000 SPC/E water molecules
Timings are given for a molecular dynamics simulation of 27,000 SPC/E water molecules
subject to periodic boundary conditions, in the NVT ensemble. These timings were 
obtained from simulations of 1000 steps, and reflect the wall-clock time of a
single molecular dynamics step. The setup time and time for periodic recording of 
coordinates and velocities is not included.
|  | KSR-2 | IBM SP-2 | 
|  | Rc=0.9 | Rc=0.9 | 
| 4 nodes |  | 15.035754 | 
| 8 nodes |  | 7.290162 | 
| 20 nodes |  | 2.717282 | 
| 32 nodes |  | 2.766097 | 
| 50 nodes |  | 1.472683 | 
| 125 nodes |  | 1.107691 | 
Speedups relative to the 4 node timings
|  | KSR-2 | IBM SP-2 | 
|  | Rc=0.9 | Rc=0.9 | 
| 4 nodes |  | 4.0 | 
| 8 nodes |  | 8.3 | 
| 20 nodes |  | 22.1 | 
| 32 nodes |  | 21.7 | 
| 50 nodes |  | 40.8 | 
| 125 nodes |  | 54.3 |