GROMACS
The CUDA version of the Gromacs molecular dynamics package.
The pts/gromacs-gpu test profile has been replaced by pts/gromacs that now has the GPU/CUDA support exposed as a run-time option rather than being maintained as a separate test profile.
To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark gromacs-gpu.
Use with caution this test profile is currently marked Deprecated.
Project Site
gromacs.orgTest Created
22 December 2018Last Updated
13 May 2021Test Maintainer
Michael LarabelTest Type
GraphicsAverage Install Time
2 Minutes, 32 SecondsAverage Run Time
5 Minutes, 31 SecondsTest Dependencies
C/C++ Compiler Toolchain + CMakeAccolades
20k+ DownloadsSupported Platforms
** 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 updated weekly as of 20 December 2024.
Suites Using This Test
Performance Metrics
Analyze Test Configuration:GROMACS 2020.3
Water Benchmark
OpenBenchmarking.org metrics for this test profile configuration based on 212 public results since 6 September 2020 with the latest data as of 5 March 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 (GROMACS 2020.3 - Water Benchmark) has an average run-time of 9 minutes. By default this test profile is set to run at least 3 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.
Based on public OpenBenchmarking.org results, the selected test / test configuration has an average standard deviation of 0.2%.
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.