LAMMPS Molecular Dynamics Simulator
LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.
Learn more about this test at the upstream project site: http://lammps.sandia.gov/.
This scientific test profile is maintained by Michael Larabel. This OpenBenchmarking.org test profile was created on 10 June 2012 and last updated on 18 September 2020. To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark lammps.
This test has an average install time of 43 seconds and an average run-time of 7 minutes, 13 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/lammps-1.2.1 [View Source] 18 Sep 2020 21:09 EDT
Add back Rhodopsin Protein for those wanting the easier model.
pts/lammps-1.2.0 [View Source] 18 Sep 2020 20:40 EDT
Update against LAMMPS 24Aug2020 latest release, also add more intense input file for working better on modern systems.
pts/lammps-1.1.0 [View Source] 10 Jan 2020 20:05 EST
Update against latest upstream lammps and other improvements to the script.
pts/lammps-1.0.1 [View Source] 01 Mar 2016 08:59 EST
Update download links.
pts/lammps-1.0.0 [View Source] 10 Jun 2012 21:13 EDT
Initial commit of the MPI LAMMPS program from the Sandia National Laboratories.
Suites Using This Test
Performance Metrics
Analyze Test Configuration:LAMMPS Molecular Dynamics Simulator 24Aug2020
Model: Rhodopsin Protein
OpenBenchmarking.org metrics for this test profile configuration based on 284 public samples since 18 September 2020 with the latest data as of 23 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 (LAMMPS Molecular Dynamics Simulator 24Aug2020 - Model: Rhodopsin Protein) has an average run-time of 2 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 2.2%.
Recent Test Results
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1 System - 295 Benchmark Results |
AMD Ryzen Threadripper 3990X 64-Core - System76 Thelio Major - AMD Starship Pop 20.04 - 5.4.0-7642-generic - GNOME Shell 3.36.4 |
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2 Systems - 87 Benchmark Results |
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3 Systems - 197 Benchmark Results |
AMD Ryzen 3 1300X - ASRock AB350 Pro4 - AMD 17h Ubuntu 20.04 - 5.9.1-050901-generic - GNOME Shell 3.36.4 |
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1 System - 87 Benchmark Results |
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9 Systems - 57 Benchmark Results |
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10 Systems - 119 Benchmark Results |
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3 Systems - 232 Benchmark Results |
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Featured Processor Comparison |
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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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3 Systems - 171 Benchmark Results |
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Intel Core i9-10900K - Gigabyte Z490 AORUS MASTER - Intel Comet Lake PCH Ubuntu 20.04 - 5.4.0-48-generic - GNOME Shell 3.36.4 |
Most Popular Test Results
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2 Systems - 403 Benchmark Results |
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3 Systems - 406 Benchmark Results |
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