CP2K Molecular Dynamics
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.
Learn more about this test at the upstream project site: https://www.cp2k.org/.
This benchmark test profile is maintained by Michael Larabel. This OpenBenchmarking.org test profile was created on 15 June 2019. To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark cp2k.
This test has an average install time of 9 seconds and an average run-time of 18 minutes, 42 seconds.
* Data based on those opting to upload their test results to OpenBenchmarking.org and users enabling the opt-in anonymous statistics reporting.
Revision History
pts/cp2k-1.0.0 [View Source] 15 Jun 2019 10:14 EDT
Initial commit of P2K molecular dynamics software package.
Suites Using This Test
Performance Metrics
Analyze Test Configuration:CP2K Molecular Dynamics 6.1
Fayalite-FIST Data
OpenBenchmarking.org metrics for this test profile configuration based on 531 public samples since 15 June 2019 with the latest data as of 16 October 2020.
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 6.1 - Fayalite-FIST Data) 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.
Recent Test Results
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1 System - 290 Benchmark Results |
AMD Ryzen 9 3950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.9.0-050900-generic - GNOME Shell 3.36.4 |
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1 System - 66 Benchmark Results |
2 x Intel Xeon X5670 - Dell 0CRH6C - Intel 5520 I Fedora 32 - 5.8.13-200.fc32.x86_64 - X Server 1.19.5 |
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1 System - 4 Benchmark Results |
Intel Core i7-6820HQ - Dell Latitude E5470 - Intel Xeon E3-1200 v5 Fedora 33 - 5.8.14-300.fc33.x86_64 - GNOME Shell 3.38.1 |
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2 Systems - 403 Benchmark Results |
Intel Core i9-10900K - Gigabyte Z490 AORUS MASTER - Intel Comet Lake PCH Ubuntu 20.10 - 5.8.0-22-generic - GNOME Shell 3.38.0 |
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2 Systems - 4 Benchmark Results |
Intel Core i7-6820HQ - Dell Latitude E5470 - Intel Xeon E3-1200 v5 Fedora 33 - 5.8.11-300.fc33.x86_64 - GNOME Shell 3.38.1 |
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3 Systems - 406 Benchmark Results |
AMD Ryzen 9 3900XT 12-Core - MSI MEG X570 GODLIKE - AMD Starship Ubuntu 20.04 - 5.4.0-48-generic - GNOME Shell 3.36.4 |
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1 System - 2 Benchmark Results |
Intel Core i7-6820HQ - Dell Latitude E5470 - Intel Xeon E3-1200 v5 Fedora 33 - 5.8.11-300.fc33.x86_64 - GNOME Shell 3.38.1 |
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1 System - 22 Benchmark Results |
2 x Intel Xeon Gold 6138 - Dell 08JG8G - Intel Sky Lake-E DMI3 Registers CentOS 7.8.2003 - 3.10.0-1127.18.2.el7.x86_64 - GCC 8.3.0 |
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2 Systems - 406 Benchmark Results |
AMD Ryzen 9 3900XT 12-Core - MSI MEG X570 GODLIKE - AMD Starship Ubuntu 20.10 - 5.8.0-20-generic - GNOME Shell 3.38.0 |
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4 Systems - 21 Benchmark Results |
2 x Intel Xeon Platinum 8260 - Dell 0K2TT6 - Intel Sky Lake-E DMI3 Registers RedHatEnterprise 8.1 - 4.18.0-147.el8.x86_64 - X Server |
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1 System - 19 Benchmark Results |
2 x Intel Xeon Gold 6138 - Dell 08JG8G - Intel Sky Lake-E DMI3 Registers CentOS 7.8.2003 - 3.10.0-1127.18.2.el7.x86_64 - GCC 8.3.0 |
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1 System - 18 Benchmark Results |
2 x Intel Xeon E5-2630 v3 - Dell 04FNTC - Intel Xeon E7 v3 CentOS 7.8.2003 - 3.10.0-1127.18.2.el7.x86_64 - GCC 8.2.0 |
Most Popular Test Results
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12 Systems - 209 Benchmark Results |
Intel Core i9-9900K - ASUS PRIME Z390-A - Intel Cannon Lake PCH Ubuntu 19.04 - 5.2.0-999-generic - GNOME Shell 3.32.1 |
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5 Systems - 1840 Benchmark Results |
Intel Core i5-6200U - HP 8079 - Intel Xeon E3-1200 v5 Ubuntu 18.04 - 4.18.0-21-generic - GNOME Shell 3.28.4 |
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Featured Processor Comparison |
Intel Core i9-10980XE - Gigabyte X299X DESIGNARE 10G - Intel Sky Lake-E DMI3 Registers Ubuntu 19.10 - 5.3.0-23-generic - GNOME Shell 3.34.1 |
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5 Systems - 1839 Benchmark Results |
Intel Core i5-6200U - HP 8079 - Intel Xeon E3-1200 v5 Ubuntu 18.04 - 4.18.0-21-generic - GNOME Shell 3.28.4 |
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Featured Processor Comparison |
AMD Ryzen 9 3900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Device 1480 Ubuntu 18.04 - 5.3.0-999-generic - GNOME Shell 3.28.4 |
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2 Systems - 403 Benchmark Results |
Intel Core i9-10900K - Gigabyte Z490 AORUS MASTER - Intel Comet Lake PCH Ubuntu 20.10 - 5.8.0-22-generic - GNOME Shell 3.38.0 |
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Featured Processor Comparison |
AMD Ryzen 9 3900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.7.0-999-generic - GNOME Shell 3.36.1 |
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3 Systems - 406 Benchmark Results |
AMD Ryzen 9 3900XT 12-Core - MSI MEG X570 GODLIKE - AMD Starship Ubuntu 20.04 - 5.4.0-48-generic - GNOME Shell 3.36.4 |
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Featured Processor Comparison |
AMD Ryzen 9 3900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.4.0-9-generic - GNOME Shell 3.34.3 |
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5 Systems - 1853 Benchmark Results |
Intel Core i5-6200U - HP 8079 - Intel Xeon E3-1200 v5 Ubuntu 18.04 - 4.18.0-21-generic - GNOME Shell 3.28.4 |
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4 Systems - 181 Benchmark Results |
AMD EPYC 7601 32-Core - TYAN B8026T70AE24HR - AMD 17h Ubuntu 19.04 - 5.2.0-050200rc7-generic - GNOME Shell 3.32.1 |
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Featured Disk Comparison |
AMD Ryzen 9 3900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Device 1480 Ubuntu 18.04 - 5.2.0-999-generic - GNOME Shell 3.28.3 |
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