NAMD

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD was developed by the Theoretical and Computational Biophysics Group in the Beckman Institute for Advanced Science and Technology at the University of Illinois at Urbana-Champaign.


NAMD 3.0

Input: ATPase with 327,506 Atoms

OpenBenchmarking.org metrics for this test profile configuration based on 344 public results since 23 September 2024 with the latest data as of 20 January 2025.

Below is an overview of the generalized performance for components where there is sufficient statistically significant data based upon user-uploaded results. It is important to keep in mind particularly in the Linux/open-source space there can be vastly different OS configurations, with this overview intended to offer just general guidance as to the performance expectations.

Component
Details
Percentile Rank
# Compatible Public Results
ns/day (Average)
Zen 5 [256 Cores / 512 Threads]
100th
4
32.6 +/- 0.1
Zen 5 [192 Cores / 384 Threads]
97th
4
19.9 +/- 0.1
Zen 4 [192 Cores / 384 Threads]
95th
8
17.9 +/- 0.1
Zen 4 [192 Cores / 384 Threads]
93rd
4
17.5 +/- 0.1
Zen 5 [128 Cores / 256 Threads]
92nd
5
14.9 +/- 0.1
Zen 5 [64 Cores / 128 Threads]
88th
6
12.7 +/- 0.2
Zen 5 [96 Cores / 192 Threads]
84th
18
12.3 +/- 0.2
82nd
3
11.8 +/- 0.2
Granite Rapids [128 Cores / 256 Threads]
80th
4
9.5 +/- 0.4
Zen 4 [128 Cores / 256 Threads]
79th
3
8.3 +/- 0.1
Zen 4 [64 Cores / 128 Threads]
76th
7
6.3 +/- 0.1
Mid-Tier
75th
< 6.2
Zen 4 [32 Cores / 64 Threads]
74th
4
5.2
Granite Rapids [256 Cores / 512 Threads]
73rd
4
4.0 +/- 0.6
Zen 5 [16 Cores / 32 Threads]
71st
6
3.4 +/- 0.2
Zen 4 [16 Cores / 32 Threads]
70th
7
2.8
Zen 4 [16 Cores / 32 Threads]
67th
9
2.8
Zen 2 [64 Cores / 128 Threads]
65th
4
2.7
Zen 5 [8 Cores / 16 Threads]
63rd
5
2.5
Zen 4 [12 Cores / 24 Threads]
62nd
7
2.4
Zen 4 [12 Cores / 24 Threads]
60th
5
2.2
Zen 4 [16 Cores / 32 Threads]
58th
3
2.1
Arrow Lake [24 Cores / 24 Threads]
57th
15
2.1
Zen 2 [32 Cores / 64 Threads]
53rd
4
2.0
Cascade Lake [18 Cores / 36 Threads]
52nd
3
1.9
Median
50th
1.8
Cascade Lake [16 Cores / 32 Threads]
48th
24
1.8
Zen 4 [8 Cores / 16 Threads]
45th
3
1.7
Raptor Lake [24 Cores / 32 Threads]
41st
8
1.5
Zen 5 [12 Cores / 24 Threads]
41st
4
1.5
Zen 4 [6 Cores / 12 Threads]
38th
5
1.3
Arrow Lake [14 Cores / 14 Threads]
36th
5
1.3
Zen 4 [8 Cores / 16 Threads]
35th
3
1.3
Cascade Lake [16 Cores / 32 Threads]
33rd
4
1.2
Zen 5 [10 Cores / 20 Threads]
32nd
6
1.2 +/- 0.1
Zen 3 [16 Cores / 32 Threads]
30th
4
1.0
Zen 3 [12 Cores / 24 Threads]
29th
3
0.9
Zen 4 [4 Cores / 8 Threads]
28th
5
0.9
Low-Tier
25th
< 0.8
Zen 2 [12 Cores / 24 Threads]
25th
3
0.8
Alder Lake [10 Cores / 16 Threads]
24th
3
0.7
Zen 3 [8 Cores / 16 Threads]
23rd
4
0.7
Zen 3 [8 Cores / 16 Threads]
22nd
3
0.6
Tiger Lake [4 Cores / 8 Threads]
21st
3
0.5
Zen 3 [8 Cores / 16 Threads]
20th
4
0.5
Zen 2 [8 Cores / 16 Threads]
19th
4
0.5
Meteor Lake [16 Cores / 22 Threads]
18th
4
0.5
Comet Lake [8 Cores / 16 Threads]
13th
17
0.4
Lunar Lake [8 Cores / 8 Threads]
10th
9
0.4
Zen 3 [8 Cores / 16 Threads]
7th
4
0.4
Alder Lake [14 Cores / 20 Threads]
6th
4
0.3
Zen 3 [8 Cores / 16 Threads]
5th
3
0.3
Ice Lake [4 Cores / 8 Threads]
4th
3
0.3