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: Fayalite-FIST
OpenBenchmarking.org metrics for this test profile configuration based on 161 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)
Zen 5 [128 Cores / 256 Threads]
94th
5
59
Granite Rapids [128 Cores / 256 Threads]
86th
3
76
Zen 5 [256 Cores / 512 Threads]
85th
5
78
Zen 5 [16 Cores / 32 Threads]
82nd
4
79
Arrow Lake [24 Cores / 24 Threads]
73rd
15
83 +/- 2
Zen 4 [16 Cores / 32 Threads]
73rd
7
84
Zen 4 [64 Cores / 128 Threads]
66th
4
86 +/- 1
Arrow Lake [14 Cores / 14 Threads]
58th
5
91
Zen 4 [12 Cores / 24 Threads]
55th
7
93 +/- 1
Zen 4 [16 Cores / 32 Threads]
48th
9
98 +/- 7
Zen 4 [12 Cores / 24 Threads]
48th
5
99 +/- 2
Zen 4 [192 Cores / 384 Threads]
43rd
4
105 +/- 1
Raptor Lake [24 Cores / 32 Threads]
39th
4
108 +/- 8
Zen 4 [8 Cores / 16 Threads]
38th
3
109 +/- 1
Zen 5 [384 Cores / 768 Threads]
30th
4
133
Zen 3 [8 Cores / 16 Threads]
29th
3
144 +/- 2
Zen 4 [8 Cores / 16 Threads]
27th
3
151 +/- 4
Zen 3 [8 Cores / 16 Threads]
25th
4
173 +/- 1
Zen 4 [4 Cores / 8 Threads]
22nd
5
178 +/- 1
Zen 2 [8 Cores / 16 Threads]
19th
4
193 +/- 1
Zen 5 [10 Cores / 20 Threads]
17th
4
215 +/- 16
Cascade Lake [16 Cores / 32 Threads]
14th
4
227 +/- 1
Zen 5 [12 Cores / 24 Threads]
12th
4
248 +/- 28
Zen 3 [8 Cores / 16 Threads]
10th
4
252 +/- 4
Lunar Lake [8 Cores / 8 Threads]
7th
3
266 +/- 2
Meteor Lake [16 Cores / 22 Threads]
5th
5
280 +/- 19
Alder Lake [14 Cores / 20 Threads]
2nd
4
332 +/- 6
