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 105 public results since 18 June 2023 with the latest data as of 5 November 2023.
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 - 31 Benchmark Results |
2 x Intel Xeon Platinum 8374C - GIGABYTE MD72-HB1-00 v01000100 - Intel Device 0998 Ubuntu 22.04 - 6.2.0-36-generic - GNOME Shell 42.2 |
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2 Systems - 358 Benchmark Results |
AMD Ryzen 9 3900XT 12-Core - MSI MEG X570 GODLIKE - AMD Starship Ubuntu 22.04 - 6.2.0-35-generic - GNOME Shell 42.2 |
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1 System - 543 Benchmark Results |
AMD Ryzen Threadripper PRO 5995WX 64-Cores - ASRock WRX80 Creator - AMD Starship Ubuntu 22.04 - 6.2.0-33-generic - GNOME Shell 42.9 |
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Featured Kernel Comparison |
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1 System - 149 Benchmark Results |
AMD Ryzen 9 7900X 12-Core - ASRock X670E Steel Legend - AMD Device 14d8 Ubuntu 23.04 - 6.5.2-native - KDE Plasma 5.27.8 |
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2 Systems - 3 Benchmark Results |
4 x Intel Xeon Gold 6130 - Dell PowerEdge R940 [0D41HC] - Intel Sky Lake-E DMI3 Registers Debian GNU - 6.1.38 - 1.0.2 |
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1 System - 3 Benchmark Results |
4 x Intel Xeon Gold 6130 - Dell PowerEdge R940 [0D41HC] - Intel Sky Lake-E DMI3 Registers Debian GNU - 6.1.38 - 1.0.2 |
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2 Systems - 150 Benchmark Results |
AMD Ryzen 7 3800X 8-Core - ASUS TUF GAMING X570-PLUS - AMD Starship Ubuntu 23.04 - 6.2.4-060204-generic - KDE Plasma 5.27.4 |
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1 System - 149 Benchmark Results |
AMD Ryzen 7 3800X 8-Core - ASUS TUF GAMING X570-PLUS - AMD Starship Ubuntu 23.04 - 6.2.4-060204-generic - KDE Plasma 5.27.4 |
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1 System - 563 Benchmark Results |
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1 System - 42 Benchmark Results
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1 System - 3 Benchmark Results
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AMD Ryzen 9 5900X 12-Core - ASUS ROG STRIX B550-F GAMING - AMD Starship Pop 22.04 - 6.4.3-1-liquorix-amd64 - KDE Plasma 5.24.7
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4 Systems - 110 Benchmark Results
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AMD EPYC 9354P 32-Core - Supermicro H13SSW - AMD Device 14a4 CentOS 7.9.2009 - 6.1.31-1.el7.x86_64 - X Server 1.19.2
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1 System - 1 Benchmark Result
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2 x AMD EPYC 7642 48-Core - Supermicro H12DSi-N6 v1.02 - 128GB Rocky Linux 9.2 - 5.14.0-284.11.1.el9_2.x86_64 - GCC 11.3.1 20221121
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3 Systems - 110 Benchmark Results
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AMD EPYC 7713P 64-Core - Supermicro H12SSW-AN6 v1.01 - AMD Starship CentOS 7.9.2009 - 5.14.15-1.el7.elrepo.x86_64 - X Server 1.19.2 |
2 Systems - 115 Benchmark Results |
2 x Intel Xeon Platinum 8490H - Quanta Cloud S6Q-MB-MPS - Intel Device 1bce Ubuntu 22.04 - 5.15.0-47-generic - GNOME Shell 42.4 |
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2 Systems - 234 Benchmark Results |
AMD Ryzen Threadripper 3970X 32-Core - ASUS ROG ZENITH II EXTREME - AMD Starship Ubuntu 22.04 - 5.19.0-051900rc7-generic - GNOME Shell 42.2 |
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2 Systems - 234 Benchmark Results |
AMD Ryzen Threadripper 3970X 32-Core - ASUS ROG ZENITH II EXTREME - AMD Starship Ubuntu 22.04 - 5.19.0-051900rc7-generic - GNOME Shell 42.2 |
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3 Systems - 153 Benchmark Results |
AMD Ryzen 5 5500U - NB01 NL5xNU - AMD Renoir Tuxedo 22.04 - 6.0.0-1010-oem - KDE Plasma 5.26.5 |
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2 Systems - 90 Benchmark Results |
Intel Core i7-1280P - MSI MS-14C6 - Intel Alder Lake PCH Pop 22.04 - 6.2.6-76060206-generic - GNOME Shell 42.5 |
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Featured Graphics Comparison |
AMD Ryzen 9 5900HX - ASUS G513QY v1.0 - AMD Renoir Ubuntu 22.10 - 5.19.0-45-generic - GNOME Shell 43.0 |
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2 Systems - 115 Benchmark Results |
2 x Intel Xeon Platinum 8490H - Quanta Cloud S6Q-MB-MPS - Intel Device 1bce Ubuntu 22.04 - 5.15.0-47-generic - GNOME Shell 42.4 |
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3 Systems - 42 Benchmark Results |
AMD Ryzen 9 7950X 16-Core - ASUS ROG STRIX X670E-E GAMING WIFI - AMD Device 14d8 Ubuntu 23.04 - 6.2.0-20-generic - GNOME Shell 44.1 |
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4 Systems - 42 Benchmark Results |
Intel Core i9-13900K - ASUS PRIME Z790-P WIFI - Intel Device 7a27 Ubuntu 23.04 - 6.2.0-20-generic - GNOME Shell 44.0 |
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3 Systems - 42 Benchmark Results |
AMD Ryzen Threadripper 3990X 64-Core - Gigabyte TRX40 AORUS PRO WIFI - AMD Starship Ubuntu 23.04 - 6.2.0-20-generic - GNOME Shell 44.0 |
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2 Systems - 90 Benchmark Results |
Intel Core i7-1280P - MSI MS-14C6 - Intel Alder Lake PCH Pop 22.04 - 6.2.6-76060206-generic - GNOME Shell 42.5 |
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2 Systems - 234 Benchmark Results |
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2 Systems - 88 Benchmark Results
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AMD Ryzen 5 4500U - LENOVO LNVNB161216 - AMD Renoir Pop 22.04 - 5.17.5-76051705-generic - GNOME Shell 42.1
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3 Systems - 153 Benchmark Results
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AMD Ryzen 5 5500U - NB01 NL5xNU - AMD Renoir Tuxedo 22.04 - 6.0.0-1010-oem - KDE Plasma 5.26.5
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3 Systems - 42 Benchmark Results
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AMD Ryzen 9 7950X 16-Core - ASUS ROG STRIX X670E-E GAMING WIFI - AMD Device 14d8 Ubuntu 23.04 - 6.2.0-20-generic - GNOME Shell 44.1 |