CP2K is an open-source molecular dynamics software package focused on quantum chemistry and solid-state physics. This test profile currently makes use of the OpenMP implementation and using the Fayalite-FIST molecular dynamics run and measures the total time to complete.
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 126 public results since 10 January 2021 with the latest data as of 18 January 2021.
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 8.1 - Fayalite-FIST Data) has an average run-time of 21 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.
4 Systems - 30 Benchmark Results |
AMD Ryzen 3 3300X 4-Core - MSI B350M GAMING PRO - AMD Starship Ubuntu 20.04 - 5.9.0-rc5-14sep-patch - GNOME Shell 3.36.4 |
5 Systems - 47 Benchmark Results |
Intel Xeon E5-2609 v4 - MSI X99A RAIDER - Intel Xeon E7 v4 Ubuntu 20.04 - 5.9.0-050900rc6daily20200926-generic - GNOME Shell 3.36.2 |
2 Systems - 17 Benchmark Results |
2 x Intel Celeron J3455 - Intel 440BX - Intel 440BX Ubuntu 18.04 - 4.15.0-130-generic - GCC 7.5.0 |
3 Systems - 31 Benchmark Results |
Intel Core i7-9750H - Notebook P95_96_97Ex Rx - Intel Cannon Lake PCH Ubuntu 20.04 - 5.7.0-999-generic - GNOME Shell 3.36.4 |
4 Systems - 24 Benchmark Results |
Intel Core i3-8100 - ASRock Z370M-ITX/ac - Intel 8th Gen Core 4-core Desktop Ubuntu 20.04 - 5.9.0-050900rc1daily20200819-generic - GNOME Shell 3.36.4 |
1 System - 1 Benchmark Result |
AMD Ryzen 9 5900X 12-Core - ASRock B550M Pro4 - AMD Starship Clear Linux OS 34170 - 5.10.7-1014.native - GNOME Shell 3.38.2 |
4 Systems - 91 Benchmark Results |
AMD Ryzen 5 5600X 6-Core - ASUS TUF GAMING B550M-PLUS - AMD Starship Ubuntu 20.10 - 5.10.4-051004-generic - GNOME Shell 3.38.1 |
4 Systems - 24 Benchmark Results |
Intel Core i5-8400 - MSI Z370M MORTAR - Intel 8th Gen Core Ubuntu 20.04 - 5.9.0-050900rc7daily20200929-generic - GNOME Shell 3.36.4 |
4 Systems - 104 Benchmark Results |
AMD Ryzen 5 2400G - MSI B350M GAMING PRO - AMD Raven Ubuntu 19.10 - 5.3.0-64-generic - GNOME Shell 3.34.1 |
4 Systems - 22 Benchmark Results |
AMD Ryzen 7 3700X 8-Core - Gigabyte A320M-S2H-CF - AMD Starship Ubuntu 20.04 - 5.8.1-050801-generic - GNOME Shell 3.36.4 |
3 Systems - 36 Benchmark Results |
Intel Core i5-6500 - Gigabyte Z170M-D3H-CF - Intel Xeon E3-1200 v5 Ubuntu 20.04 - 5.9.0-050900rc7daily20200929-generic - GNOME Shell 3.36.4 |
4 Systems - 22 Benchmark Results |
AMD Ryzen Threadripper 2950X 16-Core - MSI MEG X399 CREATION - AMD 17h Debian 10 - 5.8.1-050801-generic - GNOME Shell 3.30.2 |
4 Systems - 30 Benchmark Results |
AMD Ryzen 3 3300X 4-Core - MSI B350M GAMING PRO - AMD Starship Ubuntu 20.04 - 5.9.0-rc5-14sep-patch - GNOME Shell 3.36.4 |
5 Systems - 47 Benchmark Results |
Intel Xeon E5-2609 v4 - MSI X99A RAIDER - Intel Xeon E7 v4 Ubuntu 20.04 - 5.9.0-050900rc6daily20200926-generic - GNOME Shell 3.36.2 |
3 Systems - 20 Benchmark Results |
Intel Core i5-10600K - ASUS PRIME Z490M-PLUS - Intel Comet Lake PCH Ubuntu 20.04 - 5.9.0-050900daily20201012-generic - GNOME Shell 3.36.4 |
3 Systems - 16 Benchmark Results |
Intel Xeon E3-1280 v5 - MSI Z170A SLI PLUS - Intel Xeon E3-1200 v5 Ubuntu 20.04 - 5.9.0-050900rc2daily20200826-generic - GNOME Shell 3.36.4 |
3 Systems - 13 Benchmark Results |
AMD Ryzen 9 5900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.10 - 5.11.0-rc2-phx - GNOME Shell 3.38.1 |
4 Systems - 19 Benchmark Results |
AMD Ryzen 9 3900XT 12-Core - MSI MEG X570 GODLIKE - AMD Starship Ubuntu 20.10 - 5.11.0-rc1-phx - GNOME Shell 3.38.1 |
4 Systems - 91 Benchmark Results |
AMD Ryzen 5 5600X 6-Core - ASUS TUF GAMING B550M-PLUS - AMD Starship Ubuntu 20.10 - 5.10.4-051004-generic - GNOME Shell 3.38.1 |
4 Systems - 22 Benchmark Results |
AMD Ryzen 7 3700X 8-Core - Gigabyte A320M-S2H-CF - AMD Starship Ubuntu 20.04 - 5.8.1-050801-generic - GNOME Shell 3.36.4 |
4 Systems - 24 Benchmark Results |
Intel Core i5-8400 - MSI Z370M MORTAR - Intel 8th Gen Core Ubuntu 20.04 - 5.9.0-050900rc7daily20200929-generic - GNOME Shell 3.36.4 |
4 Systems - 22 Benchmark Results |
AMD Ryzen Threadripper 2950X 16-Core - MSI MEG X399 CREATION - AMD 17h Debian 10 - 5.8.1-050801-generic - GNOME Shell 3.30.2 |
4 Systems - 61 Benchmark Results |
Intel Core i9-7960X - MSI X299 SLI PLUS - Intel Sky Lake-E DMI3 Registers Ubuntu 20.04 - 5.4.0-58-generic - X Server 1.20.8 |
3 Systems - 36 Benchmark Results |
Intel Core i5-6500 - Gigabyte Z170M-D3H-CF - Intel Xeon E3-1200 v5 Ubuntu 20.04 - 5.9.0-050900rc7daily20200929-generic - GNOME Shell 3.36.4 |