GROMACS
The Gromacs molecular dynamics package testing on the CPU with the water_GMX50 data.
Learn more about this test at the upstream project site: gromacs.org.
This benchmark test is maintained by Michael Larabel. This OpenBenchmarking.org test profile was created on 15 June 2019 and last updated on 14 April 2020. To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark gromacs.
This test has an average install time of 3 minutes, 33 seconds and an average run-time of 32 minutes, 38 seconds.
Performance Metrics
Analyze Test Configuration: GROMACS 2020.1
Water Benchmark
OpenBenchmarking.org metrics for this test profile configuration based on 923 public samples since 14 April 2020 with the latest data as of 17 September 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.
Revision History
pts/gromacs-1.3.0 14 Apr 2020 11:26 EDT
Update against gromacs 2020.1 upstream.
pts/gromacs-1.2.1 26 Feb 2020 18:41 EST
Add external dependencies that were missing/
pts/gromacs-1.2.0 26 Feb 2020 15:24 EST
Update against new GROMACS 2020 upstream, add allow run as root for mpirun.
pts/gromacs-1.1.1 09 Nov 2019 14:16 EST
Fix for the run sometimes failing, delete the previous tpr files before running.
pts/gromacs-1.1.0 09 Nov 2019 13:57 EST
Update against GROMACS 2019.4 upstream.
pts/gromacs-1.0.0 15 Jun 2019 10:41 EDT
Been meaning to add this, very similar to existing gromacs-gpu test profile but this test profile only subject to running on CPU.
Recent Test Results
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7 Systems - 84 Benchmark Results |
2 x AMD EPYC 7262 8-Core - Supermicro H11DSi-NT v2.00 - AMD Starship Ubuntu 20.04 - 5.8.0-050800rc6daily20200721-generic - GNOME Shell 3.36.1 |
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7 Systems - 51 Benchmark Results |
AMD EPYC 7232P 8-Core - Supermicro H11DSi-NT v2.00 - AMD Starship Ubuntu 20.04 - 5.8.0-050800rc6daily20200721-generic - GNOME Shell 3.36.1 |
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4 Systems - 41 Benchmark Results |
AMD Ryzen 9 3950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.4.0-47-generic - GNOME Shell 3.36.4 |
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1 System - 180 Benchmark Results |
AMD Ryzen 3 2200G - ASRock A320M-ITX - AMD Raven Ubuntu 20.04 - 5.4.0-47-generic - GNOME Shell 3.36.4 |
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Featured Kernel Comparison |
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1 System - 36 Benchmark Results |
Intel Core i7-3770K - ECS Z77H2-A2X v1.0 - Intel Xeon E3-1200 v2 Ubuntu 20.04 - 5.4.0-47-generic - GNOME Shell 3.36.3 |
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1 System - 2 Benchmark Results |
ARMv8 rev 0 - Jetson-AGX - 16GB Ubuntu 18.04 - 4.9.140-tegra - Unity 7.5.0 |
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7 Systems - 394 Benchmark Results |
AMD Ryzen Threadripper 3960X 24-Core - MSI Creator TRX40 - AMD Starship Ubuntu 19.10 - 5.4.0-999-generic - GNOME Shell 3.34.1 |
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3 Systems - 58 Benchmark Results |
AMD Ryzen 3 3300X 4-Core - MSI B350M GAMING PRO - AMD Starship Ubuntu 20.04 - 5.8.0-050800-generic - GNOME Shell 3.36.4 |
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Featured Kernel Comparison |
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Featured Graphics Comparison |
eVGA NVIDIA GeForce GTX 950 2GB - eVGA NVIDIA GeForce GTX 960 2GB - eVGA NVIDIA GeForce GTX 970 4GB - NVIDIA GeForce GTX 980 4GB - NVIDIA GeForce GTX 980 Ti 6GB - NVIDIA GeForce GTX TITAN X 12GB - eVGA NVIDIA GeForce GTX 1050 Ti 4GB - NVIDIA GeForce GTX 1060 6GB - NVIDIA GeForce GTX 1070 8GB - Zotac NVIDIA GeForce GTX 1070 Ti 8GB - NVIDIA GeForce GTX 1080 8GB - ASUS NVIDIA GeForce GTX 1650 4GB - ASUS NVIDIA GeForce GTX 1650 SUPER 4GB - ASUS NVIDIA GeForce GTX 1660 6GB - eVGA NVIDIA GeForce GTX 1660 SUPER 6GB - eVGA NVIDIA GeForce GTX 1660 Ti 6GB - NVIDIA GeForce RTX 2060 6GB - NVIDIA GeForce RTX 2060 SUPER 8GB - ASUS NVIDIA GeForce RTX 2070 8GB - NVIDIA GeForce RTX 2070 SUPER 8GB - Zotac NVIDIA GeForce RTX 2080 8GB |
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24 Systems - 204 Benchmark Results |
AMD Ryzen 9 3950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.4.0-45-generic - GNOME Shell 3.36.4 |
Most Popular Test Results
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Featured Processor Comparison |
AMD Ryzen 9 3950X 16-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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2 Systems - 269 Benchmark Results |
AMD Ryzen Threadripper 3990X 64-Core - System76 Thelio Major - AMD Starship Ubuntu 20.04 - 5.4.0-29-generic - GNOME Shell 3.36.1 |
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2 Systems - 150 Benchmark Results |
Intel Core i7-1065G7 - Dell 06CDVY - Intel Device 34ef Ubuntu 20.04 - 5.7.0-999-generic - GNOME Shell 3.36.1 |
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3 Systems - 143 Benchmark Results |
AMD EPYC 7742 64-Core - AMD DAYTONA_X - AMD Starship Ubuntu 20.04 - 5.4.0-31-generic - GNOME Shell 3.36.1 |
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3 Systems - 301 Benchmark Results |
Intel Core i5-10600K - ASUS PRIME Z490M-PLUS - Intel Comet Lake PCH Ubuntu 20.04 - 5.4.0-40-generic - GNOME Shell 3.36.3 |
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5 Systems - 385 Benchmark Results |
Intel Core i9-10900K - Gigabyte Z490 AORUS MASTER - Intel Comet Lake PCH Ubuntu 20.04 - 5.7.0-999-generic - GNOME Shell 3.36.1 |
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3 Systems - 173 Benchmark Results |
AMD Ryzen Threadripper 3970X 32-Core - 64GB - 931GB Ubuntu 20.04 - 4.4.0-19041-Microsoft - GCC 9.3.0 |
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6 Systems - 733 Benchmark Results |
Intel Core i9-10900K - Gigabyte Z490 AORUS MASTER - Intel Comet Lake PCH Ubuntu 20.04 - 5.8.0-050800daily20200622-generic - GNOME Shell 3.36.2 |
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3 Systems - 777 Benchmark Results |
Intel Core i3-10100 - ASUS PRIME Z490M-PLUS - Intel Comet Lake PCH Ubuntu 20.04 - 5.7.0-rc6-amd-energy - GNOME Shell 3.36.2 |
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4 Systems - 95 Benchmark Results |
AMD Ryzen Threadripper 3990X 64-Core - System76 Thelio Major - AMD Starship Pop 20.04 - 5.4.0-7634-generic - GNOME Shell 3.36.3 |
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5 Systems - 142 Benchmark Results |
AMD Ryzen 5 4500U - LENOVO LNVNB161216 - AMD Renoir Root Complex Ubuntu 20.04 - 5.7.0-999-generic - GNOME Shell 3.36.2 |
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4 Systems - 95 Benchmark Results |
AMD Ryzen Threadripper 3990X 64-Core - System76 Thelio Major - AMD Starship Pop 20.04 - 5.4.0-7634-generic - GNOME Shell 3.36.3 |