CP2K Molecular Dynamics
CP2K is an open-source molecular dynamics software package focused on quantum chemistry and solid-state physics. More details on the CP2K benchmark test cases and details can be found @ https://www.cp2k.org/performance
CP2K Molecular Dynamics 2024.3
Input: H20-256
OpenBenchmarking.org metrics for this test profile configuration based on 176 public results since 11 October 2024 with the latest data as of 30 December 2024.
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
Seconds (Average)
Granite Rapids [256 Cores / 512 Threads]
99th
5
80 +/- 1
Granite Rapids [128 Cores / 256 Threads]
95th
3
109 +/- 1
Zen 5 [128 Cores / 256 Threads]
93rd
5
113
Zen 5 [64 Cores / 128 Threads]
83rd
4
137 +/- 1
Zen 5 [256 Cores / 512 Threads]
78th
10
140 +/- 1
Zen 5 [384 Cores / 768 Threads]
72nd
5
169
Zen 4 [32 Cores / 64 Threads]
67th
4
222 +/- 1
Zen 4 [192 Cores / 384 Threads]
65th
4
223 +/- 1
Zen 4 [64 Cores / 128 Threads]
62nd
4
273 +/- 3
Arrow Lake [24 Cores / 24 Threads]
56th
15
440 +/- 34
Zen 5 [16 Cores / 32 Threads]
52nd
4
499 +/- 1
Zen 4 [16 Cores / 32 Threads]
47th
7
518
Arrow Lake [14 Cores / 14 Threads]
44th
5
576 +/- 3
Raptor Lake [24 Cores / 32 Threads]
40th
4
599 +/- 2
Zen 4 [16 Cores / 32 Threads]
39th
9
603 +/- 26
Zen 4 [12 Cores / 24 Threads]
35th
7
630 +/- 2
Zen 4 [12 Cores / 24 Threads]
31st
5
678 +/- 2
Zen 4 [8 Cores / 16 Threads]
28th
3
741 +/- 2
Cascade Lake [16 Cores / 32 Threads]
26th
4
918
Zen 2 [8 Cores / 16 Threads]
23rd
4
980 +/- 51
Zen 4 [8 Cores / 16 Threads]
22nd
3
1022 +/- 26
Zen 3 [8 Cores / 16 Threads]
19th
3
1085 +/- 2
Zen 4 [4 Cores / 8 Threads]
16th
5
1283 +/- 2
Zen 5 [12 Cores / 24 Threads]
12th
4
1474 +/- 126
Zen 5 [10 Cores / 20 Threads]
12th
4
1497 +/- 67
Meteor Lake [16 Cores / 22 Threads]
10th
3
1682 +/- 31
Zen 3 [8 Cores / 16 Threads]
8th
4
1709 +/- 3
Zen 3 [8 Cores / 16 Threads]
6th
4
1777 +/- 1
Lunar Lake [8 Cores / 8 Threads]
4th
3
2197 +/- 8
Alder Lake [14 Cores / 20 Threads]
2nd
4
2502 +/- 316
