(Updated November 2022)
G100
Version 2.14
Input: (http://www.ks.uiuc.edu/Research/namd/utilities/)
APOA1 - Acquaporin, (water channel) benchmark (92 224 atoms, periodic, PME)
Table 1: Performance of pure MPI run
| n nodes | n cores | Performance ns/day |
|---|---|---|
| 1 | 48 | 6.17997 |
| 2 | 96 | 11.9407 |
| 3 | 144 | 16.8295 |
| 4 | 192 | 21.6144 |
| 5 | 240 | 25.831 |
| 6 | 288 | 31.1206 |
| 7 | 336 | 32.6168 |
| 8 | 384 | 35.6982 |
| 9 | 432 | 39.7144 |
| 10 | 480 | 44.5508 |
| 12 | 576 | 51.6476 |
| 14 | 762 | 59.0734 |
| 16 | 768 | 67.7865 |
| 18 | 864 | 72.83 |
| 20 | 960 | 63.2455 |
Graphic 1: the NAMD performance (simulation time in ns/day) is reported vs. the increasing number of nodes (48 core per node)
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