LAMMPS Molecular Dynamics Simulator
LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.
To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark lammps.
Project Site
lammps.sandia.govTest Created
10 June 2012Last Updated
12 January 2021Test Maintainer
Michael LarabelTest Type
ProcessorAverage Install Time
1 Minute, 49 SecondsAverage Run Time
7 Minutes, 13 SecondsTest Dependencies
Fortran + OpenMPI + FFTW + CMake + C/C++ Compiler ToolchainAccolades
100k+ 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 current as of 15 June 2021.
Suites Using This Test
Performance Metrics
Analyze Test Configuration:LAMMPS Molecular Dynamics Simulator 29Oct2020
Model: Rhodopsin Protein
OpenBenchmarking.org metrics for this test profile configuration based on 1,217 public results since 29 October 2020 with the latest data as of 14 June 2021.
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 29Oct2020 - 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%.
Does It Scale Well With Increasing Cores?
Yes, based on the automated analysis of the collected public benchmark data, this test / test settings does generally scale well with increasing CPU core counts. Data based on publicly available results for this test / test settings, separated by vendor, result divided by the reference CPU clock speed, grouped by matching physical CPU core count, and normalized against the smallest core count tested from each vendor for each CPU having a sufficient number of test samples and statistically significant data.
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 Sandy Bridge (2011).
Found on AMD processors since Bulldozer (2011).
Found on Intel processors since Haswell (2013).
Found on AMD processors since Excavator (2016).
Found on Intel processors since Haswell (2013).
Found on AMD processors since Bulldozer (2011).
This test profile binary relies on the shared libraries libmpi.so.40, libjpeg.so.8, libpng16.so.16, libfftw3.so.3, libm.so.6, libpthread.so.0, libc.so.6, libopen-rte.so.40, libopen-pal.so.40, libhwloc.so.15, libz.so.1, libgomp.so.1, libdl.so.2, libutil.so.1, libudev.so.1.
Recent Test Results
Compare
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1 System - 372 Benchmark Results |
2 x AMD EPYC 7763 64-Core - AMD DAYTONA_X - AMD Starship Ubuntu 21.04 - 5.13.0-051300rc4-generic - X Server 1.20.11 |
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12 Systems - 214 Benchmark Results |
AMD EPYC 7713 64-Core - AMD DAYTONA_X - AMD Starship Ubuntu 21.04 - 5.13.0-051300rc4-generic - X Server 1.20.11 |
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2 Systems - 118 Benchmark Results |
Intel Core i9-11900K - ASUS ROG MAXIMUS XIII HERO - Intel Tiger Lake-H Fedora 34 - 5.12.9-300.fc34.x86_64 - GNOME Shell 40.1 |
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1 System - 240 Benchmark Results |
2 x Intel Xeon - OpenStack Foundation Nova v21.0.0 - Intel 440FX 82441FX PMC Ubuntu 20.04 - 5.4.0-74-generic - GCC 9.3.0 |
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1 System - 241 Benchmark Results |
2 x Intel Xeon - OpenStack Foundation Nova v21.0.0 - Intel 440FX 82441FX PMC Ubuntu 20.04 - 5.4.0-74-generic - GCC 9.3.0 |
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1 System - 369 Benchmark Results |
2 x AMD EPYC 7713 64-Core - AMD DAYTONA_X - AMD Starship Ubuntu 21.04 - 5.13.0-051300rc4-generic - X Server 1.20.11 |
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4 Systems - 214 Benchmark Results |
Intel Xeon Platinum 8380 - Intel M50CYP2SB2U - Intel Device 0998 Ubuntu 21.04 - 5.13.0-051300rc4-generic - GNOME Shell 3.38.4 |
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3 Systems - 214 Benchmark Results |
Intel Xeon Platinum 8380 - Intel M50CYP2SB2U - Intel Device 0998 Ubuntu 21.04 - 5.13.0-051300rc4-generic - GNOME Shell 3.38.4 |
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5 Systems - 67 Benchmark Results |
ARMv7 Cortex-A72 - BCM2711 Raspberry Pi 4 Model B Rev 1.1 - 2048MB Raspbian 10 - 5.4.51-v7l+ - LXDE 0.10.0 |
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1 System - 485 Benchmark Results |
2 x Intel Xeon Platinum 8380 - Intel M50CYP2SB2U - Intel Device 0998 Ubuntu 21.04 - 5.13.0-051300rc4-generic - GNOME Shell 3.38.4 |
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5 Systems - 148 Benchmark Results |
ARMv8 Cortex-A72 - BCM2835 Raspberry Pi 400 Rev 1.0 - 4096MB Debian 10 - 5.4.51-v8+ - LXDE 0.10.0 |
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1 System - 206 Benchmark Results |
2 x Intel Xeon Platinum 8380 - Intel M50CYP2SB2U - Intel Device 0998 Ubuntu 21.04 - 5.13.0-051300rc4-generic - GNOME Shell 3.38.4 |