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 |