nwARGOS sea benchmark
Molecular dynamics simulation of 13,824 SPC/E water molecules
Timings are given for a molecular dynamics simulation of 13,824 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 | IBM SP-2 | 
|  | Rc=0.9 | Rc=0.9 | Rc=1.8 | 
| 4 nodes | 15.117976 | 7.331969 | 52.237927 | 
| 8 nodes | 7.169106 | 3.816244 | 27.631083 | 
| 16 nodes | 3.472468 | 2.130735 | 13.496562 | 
| 32 nodes | 1.782187 |  | 6.811522 | 
| 64 nodes | 0.921344 | 1.007676 | 3.663068 | 
| 128 nodes |  |  | 2.280681 | 
Speedups relative to the 4 node timings
|  | KSR-2 | IBM SP-2 | 
|  | Rc=0.9 | Rc=0.9 | Rc=1.8 | 
| 4 nodes | 4.0 | 4.0 | 4.0 | 
| 8 nodes | 8.5 | 8.0 | 7.6 | 
| 16 nodes | 17.4 | 14.5 | 15.5 | 
| 32 nodes | 33.9 | 25.9 | 36.0 | 
| 64 nodes | 65.6 | 30.1 | 57.1 | 
| 128 nodes |  |  | 91.6 |