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
To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark cp2k.
OpenBenchmarking.org metrics for this test profile configuration based on 107 public results since 18 June 2023 with the latest data as of 8 July 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.
Based on OpenBenchmarking.org data, the selected test / test configuration (CP2K Molecular Dynamics 2023.1 - Input: Fayalite-FIST) has an average run-time of 3 minutes. By default this test profile is set to run at least 1 times but may increase if the standard deviation exceeds pre-defined defaults or other calculations deem additional runs necessary for greater statistical accuracy of the result.
Notable instruction set extensions supported by this test, based on an automatic analysis by the Phoronix Test Suite / OpenBenchmarking.org analytics engine.
This benchmark has been successfully tested on the below mentioned architectures. The CPU architectures listed is where successful OpenBenchmarking.org result uploads occurred, namely for helping to determine if a given test is compatible with various alternative CPU architectures.
1 System - 57 Benchmark Results |
AMD Ryzen 9 7950X3D 16-Core - ASUS TUF GAMING X670E-PLUS WIFI - AMD Device 14d8 Ubuntu 22.04 - 6.5.0-44-generic - GNOME Shell 42.9 |
1 System - 60 Benchmark Results |
AMD Ryzen Threadripper PRO 5975WX 32-Cores - Supermicro M12SWA-TF v1.01 - AMD Starship Ubuntu 22.04 - 6.5.0-41-generic - GNOME Shell 42.9 |
1 System - 57 Benchmark Results |
AMD Ryzen 9 3900XT 12-Core - ASUS PRIME X570-P - AMD Starship Ubuntu 22.04 - 6.5.0-41-generic - Xfce 4.16 |
3 Systems - 141 Benchmark Results |
Intel Xeon Gold 6148 - Supermicro X11SPW-TF v1.03 - Intel Sky Lake-E DMI3 Registers Ubuntu 22.04 - 5.15.0-112-generic - X Server |
2 Systems - 147 Benchmark Results |
2 x Intel $0000% - Intel M50CYP2SB2U - Intel Ice Lake IEH Ubuntu 24.04 - 6.8.0-31-generic - GCC 13.2.0 |
9 Systems - 183 Benchmark Results |
2 x Intel Xeon Gold 6430 - Dell PowerEdge R760 030NDG - Intel Device 1bce Ubuntu 23.10 - 6.5.0-9-generic - GCC 13.2.0 |
8 Systems - 185 Benchmark Results |
Intel Core i5-1135G7 - LENOVO Lenovo V15 G2 ITL LNVNB161216 - Intel Tiger Lake-LP Ubuntu 23.10 - 6.5.0-9-generic - X Server 1.21.1.7 |
8 Systems - 185 Benchmark Results |
AMD Ryzen 9 3900X 12-Core - MSI X570-A PRO - AMD Starship Ubuntu 23.10 - 6.5.0-9-generic - X Server 1.21.1.7 |