nwARGOS river benchmark
Molecular dynamics simulation of 5,832 SPC/E water molecules
Timings are given for a molecular dynamics simulation of 5,832 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 |
4 nodes
|
6.118019
|
3.023760
|
8 nodes
|
2.866662
|
1.664759
|
27 nodes
|
0.889270
|
|
72 nodes
|
0.408092
|
|
Speedups relative to the 4 node timings
|
KSR-2 |
IBM SP-2 |
4 nodes
|
4.0
|
4.0
|
8 nodes
|
8.5
|
7.3
|
27 nodes
|
27.5
|
|
72 nodes
|
60.0
|
|