The GROMACS (GROningen MAchine for Chemical Simulations) molecular dynamics package testing with the water_GMX50 data. This test profile allows selecting between CPU and GPU-based GROMACS builds.
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 Per Day (Average)
Zen 5 [256 Cores / 512 Threads]
100th
21
33.2 +/- 0.8
Granite Rapids [256 Cores / 512 Threads]
99th
24
32.8 +/- 0.7
Zen 5 [384 Cores / 768 Threads]
97th
5
30.8 +/- 0.2
Zen 5 [192 Cores / 384 Threads]
96th
12
29.6 +/- 1.0
Zen 5 [128 Cores / 256 Threads]
95th
7
26.7 +/- 0.1
Zen 5 [192 Cores / 384 Threads]
93rd
8
23.2
Zen 4 [192 Cores / 384 Threads]
91st
23
22.6 +/- 1.8
Zen 5 [128 Cores / 256 Threads]
91st
25
22.4 +/- 0.7
Zen 4 [256 Cores / 512 Threads]
90th
7
21.8 +/- 0.6
Granite Rapids [128 Cores / 256 Threads]
88th
17
20.5 +/- 1.3
Zen 5 [96 Cores / 192 Threads]
84th
16
18.2 +/- 0.3
Zen 5 [96 Cores / 192 Threads]
82nd
29
17.4 +/- 0.6
Sapphire Rapids [120 Cores / 240 Threads]
80th
10
15.4 +/- 0.1
Zen 4 [96 Cores / 192 Threads]
79th
5
14.8 +/- 0.9
Zen 5 [64 Cores / 128 Threads]
78th
11
14.5 +/- 0.2
Sapphire Rapids [96 Cores / 192 Threads]
77th
6
14.3 +/- 0.2
Zen 4 [128 Cores / 256 Threads]
75th
4
13.5 +/- 0.3
Sapphire Rapids [96 Cores / 192 Threads]
75th
3
13.4
Sapphire Rapids [112 Cores / 224 Threads]
75th
16
13.4 +/- 1.0
Sapphire Rapids [64 Cores / 128 Threads]
74th
4
12.5
Zen 4 [96 Cores / 192 Threads]
73rd
4
11.4
Emerald Rapids [64 Cores / 128 Threads]
72nd
19
10.5
Sapphire Rapids [60 Cores / 120 Threads]
70th
11
8.8
Sapphire Rapids [56 Cores / 112 Threads]
69th
6
8.3
Sapphire Rapids [32 Cores / 64 Threads]
68th
5
7.8
Sapphire Rapids [48 Cores / 96 Threads]
67th
4
7.6
Zen 4 [64 Cores / 128 Threads]
66th
14
7.3 +/- 0.8
Zen 3 [128 Cores / 256 Threads]
65th
3
7.2 +/- 0.1
Sapphire Rapids [32 Cores / 64 Threads]
62nd
4
6.8 +/- 0.1
Zen 4 [64 Cores / 128 Threads]
61st
6
6.7 +/- 0.1
Sapphire Rapids [32 Cores / 64 Threads]
59th
3
5.3
Sapphire Rapids [32 Cores / 64 Threads]
58th
4
5.3
Zen 3 [32 Cores / 64 Threads]
54th
4
3.7
Zen 2 [64 Cores / 128 Threads]
54th
5
3.7
Zen 3 [24 Cores / 48 Threads]
53rd
4
3.6
Zen 2 [32 Cores / 64 Threads]
52nd
3
3.3
Zen 5 [16 Cores / 32 Threads]
50th
32
3.1 +/- 0.1
Zen 4 [16 Cores / 32 Threads]
47th
9
2.8 +/- 0.2
Zen 5 [12 Cores / 24 Threads]
47th
8
2.8 +/- 0.1
Zen 4 [16 Cores / 32 Threads]
45th
25
2.7 +/- 0.1
Zen 4 [16 Cores / 32 Threads]
45th
4
2.7
Zen 5 [8 Cores / 16 Threads]
44th
11
2.7
Zen 4 [16 Cores / 32 Threads]
42nd
5
2.5
Zen 4 [12 Cores / 24 Threads]
42nd
5
2.4
Zen 4 [12 Cores / 24 Threads]
41st
5
2.4
Zen 4 [12 Cores / 24 Threads]
41st
4
2.3
Zen 4 [12 Cores / 24 Threads]
40th
8
2.2
Zen 4 [12 Cores / 24 Threads]
39th
3
2.1
Arrow Lake [24 Cores / 24 Threads]
38th
25
2.0 +/- 0.2
Zen 5 [8 Cores / 16 Threads]
38th
10
2.0
Zen 4 [8 Cores / 16 Threads]
37th
5
1.9
Zen 5 [6 Cores / 12 Threads]
35th
14
1.7
Zen 4 [8 Cores / 16 Threads]
34th
4
1.6
Zen 4 [8 Cores / 16 Threads]
33rd
4
1.6
Cascade Lake [18 Cores / 36 Threads]
33rd
3
1.6
Zen [32 Cores / 64 Threads]
32nd
4
1.6
Zen 4 [8 Cores / 16 Threads]
32nd
4
1.5
Zen 4 [8 Cores / 16 Threads]
32nd
3
1.5
Raptor Lake [8 Cores / 16 Threads]
30th
11
1.4
Zen 4 [8 Cores / 16 Threads]
29th
14
1.4 +/- 0.1
Zen 4 [8 Cores / 16 Threads]
29th
5
1.4
Zen 3 [16 Cores / 32 Threads]
28th
7
1.4 +/- 0.2
Zen 4 [6 Cores / 12 Threads]
28th
4
1.4
Cascade Lake [16 Cores / 32 Threads]
27th
4
1.3
Zen 3 [12 Cores / 24 Threads]
27th
8
1.3 +/- 0.1
Zen 5 [12 Cores / 24 Threads]
26th
14
1.3 +/- 0.1
Zen 4 [6 Cores / 12 Threads]
26th
7
1.3
Zen 4 [6 Cores / 12 Threads]
24th
5
1.3
Zen 4 [6 Cores / 12 Threads]
24th
3
1.3
Zen 4 [6 Cores / 12 Threads]
24th
4
1.2
Zen 4 [8 Cores / 16 Threads]
23rd
11
1.2 +/- 0.1
Zen 3 [8 Cores / 16 Threads]
22nd
5
1.2
Zen 2 [8 Cores / 16 Threads]
21st
4
1.2
Zen 5 [10 Cores / 20 Threads]
20th
13
1.2 +/- 0.1
Raptor Lake [24 Cores / 32 Threads]
19th
20
1.1
Raptor Lake [10 Cores / 16 Threads]
19th
3
1.1
Zen 4 [6 Cores / 12 Threads]
18th
3
1.1
Raptor Lake [24 Cores / 32 Threads]
16th
3
1.1
Raptor Lake [10 Cores / 16 Threads]
16th
5
1.0
Zen 3 [8 Cores / 16 Threads]
16th
5
1.0
Zen 4 [8 Cores / 16 Threads]
15th
10
1.0 +/- 0.1
Raptor Lake [4 Cores / 8 Threads]
15th
5
0.9
Zen 4 [4 Cores / 8 Threads]
14th
4
0.9
Zen 3 [6 Cores / 12 Threads]
13th
4
0.8
Alder Lake [10 Cores / 16 Threads]
12th
3
0.8
Meteor Lake [16 Cores / 22 Threads]
12th
18
0.8
Zen 2 [8 Cores / 16 Threads]
11th
4
0.8
Zen 3 [6 Cores / 12 Threads]
10th
5
0.8
Haswell [16 Cores / 16 Threads]
9th
4
0.8
Meteor Lake [12 Cores / 14 Threads]
9th
4
0.7
Zen 3 [8 Cores / 16 Threads]
8th
4
0.7
Zen 3 [8 Cores / 16 Threads]
8th
5
0.7
Zen 3 [8 Cores / 16 Threads]
7th
4
0.6
Zen 2 [6 Cores / 12 Threads]
7th
6
0.6
Tiger Lake [4 Cores / 8 Threads]
7th
8
0.6
Zen 2 [8 Cores / 8 Threads]
5th
5
0.5
Tiger Lake [4 Cores / 8 Threads]
5th
3
0.5
Ice Lake [4 Cores / 8 Threads]
4th
6
0.4
Kaby/Coffee/Whiskey Lake [2 Cores / 8 Threads]
4th
3
0.4
[4 Cores / 8 Threads]
3rd
3
0.2
