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: STMV with 1,066,628 Atoms

OpenBenchmarking.org metrics for this test profile configuration based on 355 public results since 23 September 2024 with the latest data as of 13 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
12
9.623 +/- 0.062
96th
3
8.239 +/- 0.130
96th
3
8.184 +/- 0.289
Zen 5 [128 Cores / 256 Threads]
93rd
5
5.926 +/- 0.046
Zen 4 [192 Cores / 384 Threads]
92nd
8
5.673 +/- 0.027
Zen 4 [192 Cores / 384 Threads]
89th
4
5.140 +/- 0.007
Zen 5 [192 Cores / 384 Threads]
88th
4
5.110 +/- 0.011
87th
3
4.616 +/- 0.056
Zen 5 [96 Cores / 192 Threads]
79th
30
4.103 +/- 0.300
Granite Rapids [128 Cores / 256 Threads]
78th
4
3.978 +/- 0.050
Mid-Tier
75th
< 3.754
Zen 5 [64 Cores / 128 Threads]
75th
8
3.719 +/- 0.195
Zen 4 [128 Cores / 256 Threads]
73rd
3
3.112 +/- 0.024
Zen 4 [64 Cores / 128 Threads]
69th
7
1.626 +/- 0.010
Zen 4 [32 Cores / 64 Threads]
68th
4
1.579 +/- 0.001
Zen 5 [16 Cores / 32 Threads]
65th
5
0.981 +/- 0.044
Zen 4 [16 Cores / 32 Threads]
64th
7
0.760 +/- 0.003
Zen 4 [16 Cores / 32 Threads]
63rd
9
0.757 +/- 0.002
Zen 5 [8 Cores / 16 Threads]
60th
5
0.753 +/- 0.005
Zen 2 [64 Cores / 128 Threads]
58th
4
0.670 +/- 0.002
Zen 4 [12 Cores / 24 Threads]
57th
7
0.652 +/- 0.003
Zen 4 [12 Cores / 24 Threads]
54th
5
0.613 +/- 0.002
Arrow Lake [24 Cores / 24 Threads]
53rd
11
0.606 +/- 0.014
Zen 4 [16 Cores / 32 Threads]
52nd
3
0.602 +/- 0.004
Cascade Lake [18 Cores / 36 Threads]
51st
3
0.593 +/- 0.001
Median
50th
0.592
Cascade Lake [16 Cores / 32 Threads]
47th
24
0.570 +/- 0.002
Zen 2 [32 Cores / 64 Threads]
42nd
4
0.558
Zen 4 [8 Cores / 16 Threads]
41st
3
0.497 +/- 0.001
Raptor Lake [24 Cores / 32 Threads]
39th
8
0.444 +/- 0.006
Zen 5 [12 Cores / 24 Threads]
37th
4
0.414 +/- 0.016
Zen 4 [6 Cores / 12 Threads]
35th
5
0.398 +/- 0.001
Arrow Lake [14 Cores / 14 Threads]
33rd
5
0.392 +/- 0.001
Zen 4 [8 Cores / 16 Threads]
32nd
3
0.377 +/- 0.007
Cascade Lake [16 Cores / 32 Threads]
31st
4
0.351 +/- 0.001
Zen 5 [10 Cores / 20 Threads]
30th
6
0.334 +/- 0.035
Zen 3 [16 Cores / 32 Threads]
27th
4
0.274 +/- 0.015
Zen 4 [4 Cores / 8 Threads]
27th
5
0.273
Low-Tier
25th
< 0.265
Zen 3 [12 Cores / 24 Threads]
25th
3
0.262 +/- 0.003
Alder Lake [10 Cores / 16 Threads]
23rd
3
0.212 +/- 0.002
Zen 3 [8 Cores / 16 Threads]
22nd
4
0.193 +/- 0.003
Zen 3 [8 Cores / 16 Threads]
21st
3
0.181
Tiger Lake [4 Cores / 8 Threads]
20th
3
0.169
Zen 2 [8 Cores / 16 Threads]
19th
4
0.160 +/- 0.002
Zen 3 [8 Cores / 16 Threads]
18th
4
0.150 +/- 0.001
Meteor Lake [16 Cores / 22 Threads]
16th
4
0.132 +/- 0.009
Comet Lake [8 Cores / 16 Threads]
12th
17
0.119 +/- 0.003
Lunar Lake [8 Cores / 8 Threads]
9th
9
0.114 +/- 0.013
Zen 3 [8 Cores / 16 Threads]
7th
4
0.103 +/- 0.001
Ice Lake [4 Cores / 8 Threads]
6th
3
0.102 +/- 0.004
Zen 3 [8 Cores / 16 Threads]
5th
3
0.098