# nwARGOS drop benchmark

## Molecular dynamics simulation of 216 SPC/E water molecules

Timings are given for a molecular dynamics simulation of 216 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 | 0.294088 |
8 nodes | 0.165577 |
16 nodes | 0.101206 |
32 nodes | 0.110004 |
64 nodes | 0.181529 |

Speedups relative to the 4 node timings

| KSR-2 | IBM SP-2
--- | --- | ---
4 nodes | 4.0 |
8 nodes | 7.1 |
16 nodes | 11.6 |
32 nodes | 10.7 |
64 nodes | 6.5 |