CP2K Molecular Dynamics
CP2K is an open-source molecular dynamics software package focused on quantum chemistry and solid-state physics. This test profile currently uses the SSMP (OpenMP) version of cp2k.
To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark cp2k.
Project Site
cp2k.orgSource Repository
github.comTest Created
15 June 2019Last Updated
5 November 2021Test Maintainer
Michael LarabelTest Type
ProcessorAverage Install Time
11 SecondsAverage Run Time
20 Minutes, 49 SecondsTest Dependencies
OpenMPIAccolades
20k+ DownloadsSupported Platforms
Supported Architectures
** Data based on those opting to upload their test results to OpenBenchmarking.org and users enabling the opt-in anonymous statistics reporting while running benchmarks from an Internet-connected platform.
*** Test profile page view reporting began March 2021.
Data current as of 7 December 2022.
Suites Using This Test
Performance Metrics
Analyze Test Configuration:CP2K Molecular Dynamics 8.2
Input: Fayalite-FIST
OpenBenchmarking.org metrics for this test profile configuration based on 81 public results since 5 November 2021 with the latest data as of 5 December 2022.
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 8.2 - Input: Fayalite-FIST) has an average run-time of 11 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 Usage
Notable instruction set extensions supported by this test, based on an automatic analysis by the Phoronix Test Suite / OpenBenchmarking.org analytics engine.
Found on Intel processors since at least 2010.
Found on AMD processors since Bulldozer (2011).
Found on Intel processors since Sandy Bridge (2011).
Found on AMD processors since Bulldozer (2011).
Found on Intel processors since Haswell (2013).
Found on AMD processors since Bulldozer (2011).
Tested CPU Architectures
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.
Recent Test Results
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1 System - 108 Benchmark Results |
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1 System - 1 Benchmark Result
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16 x AMD EPYC - RDO OpenStack Compute - Intel 440FX 82441FX PMC AlmaLinux 8.6 - 4.18.0-305.3.1.el8_4.x86_64 - GCC 8.5.0 20210514
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1 System - 1 Benchmark Result
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16 x AMD EPYC - RDO OpenStack Compute - Intel 440FX 82441FX PMC AlmaLinux 8.6 - 4.18.0-305.3.1.el8_4.x86_64 - GCC 8.5.0 20210514
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1 System - 22 Benchmark Results
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16 x AMD EPYC - RDO OpenStack Compute - Intel 440FX 82441FX PMC AlmaLinux 8.6 - 4.18.0-305.3.1.el8_4.x86_64 - GCC 8.5.0 20210514
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1 System - 1 Benchmark Result
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16 x AMD EPYC - RDO OpenStack Compute - Intel 440FX 82441FX PMC AlmaLinux 8.6 - 4.18.0-305.3.1.el8_4.x86_64 - GCC 8.5.0 20210514
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