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.gov

Test Created

10 June 2012

Last Updated

12 January 2021

Test Maintainer

Michael Larabel

Test Type

Processor

Average Install Time

1 Minute, 49 Seconds

Average Run Time

7 Minutes, 13 Seconds

Accolades

100k+ Downloads + Recently Updated Test Profile

Supported Platforms

Public Result UploadsTest Completions*Reported Installs*OpenBenchmarking.orgEventsLAMMPS Molecular Dynamics Simulator Popularity Statisticspts/lammps2012.062012.092012.122013.032013.062013.092013.122014.032014.062014.092014.122015.032015.062015.092015.122016.032016.062016.092016.122017.032017.062017.092017.122018.032018.062018.092018.122019.032019.062019.092019.122020.032020.062020.092020.1216003200480064008000
* 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.
Data current as of Fri, 22 Jan 2021 21:09:20 GMT.
Rhodopsin Protein67.1%20k Atoms32.9%Model Option PopularityOpenBenchmarking.org

Revision History

pts/lammps-1.3.2   [View Source]   Tue, 12 Jan 2021 10:27:58 GMT
LAMMPS works fine on macOS.

pts/lammps-1.3.1   [View Source]   Sun, 10 Jan 2021 20:50:23 GMT
Update download mirror that is iffy.

pts/lammps-1.3.0   [View Source]   Thu, 29 Oct 2020 10:11:23 GMT
Update against LAMMPS 29Oct2020.

pts/lammps-1.2.1   [View Source]   Fri, 18 Sep 2020 21:09:08 GMT
Add back Rhodopsin Protein for those wanting the easier model.

pts/lammps-1.2.0   [View Source]   Fri, 18 Sep 2020 20:40:07 GMT
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]   Fri, 10 Jan 2020 20:05:05 GMT
Update against latest upstream lammps and other improvements to the script.

pts/lammps-1.0.1   [View Source]   Tue, 01 Mar 2016 08:59:37 GMT
Update download links.

pts/lammps-1.0.0   [View Source]   Sun, 10 Jun 2012 21:13:02 GMT
Initial commit of the MPI LAMMPS program from the Sandia National Laboratories.

Suites Using This Test

C/C++ Compiler Tests

Multi-Core

CPU Massive

Molecular Dynamics

Scientific Computing

MPI Benchmarks

HPC - High Performance Computing


Performance Metrics

Analyze Test Configuration:

LAMMPS Molecular Dynamics Simulator 29Oct2020

Model: Rhodopsin Protein

OpenBenchmarking.org metrics for this test profile configuration based on 724 public results since 29 October 2020 with the latest data as of 22 January 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.

Component
Percentile Rank
# Matching Public Results
ns/day (Average)
Ampere Altra ARMv8 Neoverse-N1 160-Core
100th
11
30.0 +/- 6.3
2 x Intel Xeon Platinum 8280
99th
12
24.9 +/- 1.1
2 x AMD EPYC 7601 32-Core
97th
9
23.7 +/- 0.6
2 x AMD EPYC 7F72 24-Core
96th
9
23.0 +/- 1.7
AMD Ryzen Threadripper 3990X 64-Core
96th
11
22.9 +/- 0.3
AMD Ryzen Threadripper 3970X 32-Core
93rd
12
18.8 +/- 0.4
AMD EPYC 7702 64-Core
93rd
3
17.8 +/- 0.4
2 x Intel Xeon Gold 5220R
92nd
6
16.8 +/- 0.1
AMD Ryzen Threadripper 3960X 24-Core
90th
10
16.1 +/- 0.6
AMD EPYC 7452 32-Core
89th
5
14.6
POWER9 44-Core
88th
9
14.5 +/- 0.5
AMD EPYC 7502 32-Core
88th
9
14.4 +/- 1.0
AMD EPYC 7542 32-Core
88th
4
14.4
AMD EPYC 7601 32-Core
87th
6
13.9 +/- 0.4
AMD EPYC 7532 32-Core
86th
5
13.6
AMD Ryzen Threadripper 2990WX 32-Core
83rd
3
13.0 +/- 0.4
AMD Ryzen 9 5950X 16-Core
83rd
19
12.9 +/- 0.5
AMD EPYC 7F72 24-Core
81st
3
11.8 +/- 0.2
AMD Ryzen 9 3950X 16-Core
78th
10
11.4 +/- 0.2
AMD Ryzen Threadripper 2970WX 24-Core
78th
6
11.3 +/- 0.2
AMD EPYC 7551 32-Core
77th
4
11.0 +/- 1.8
Mid-Tier
75th
< 10.9
AMD EPYC 7F52 16-Core
73rd
15
10.7 +/- 1.3
Intel Core i9-7960X
73rd
7
10.6 +/- 0.1
AMD Ryzen 9 5900X 12-Core
73rd
41
10.6 +/- 0.6
Intel Core i9-7980XE
72nd
6
10.3 +/- 0.5
AMD EPYC 7352 24-Core
71st
5
10.1
Intel Core i9-10980XE
70th
6
10.1 +/- 2.5
AMD Ryzen 9 3900XT 12-Core
68th
10
9.3 +/- 0.5
Intel Core i9-10900K
66th
9
8.7
AMD Ryzen 9 3900X 12-Core
65th
9
8.5 +/- 0.4
Intel Xeon Silver 4216
63rd
9
8.0
Intel Xeon Gold 6226R
61st
6
7.6 +/- 0.3
Intel Core i7-7900X
60th
3
7.4
AMD Ryzen 7 5800X 8-Core
60th
11
7.4 +/- 0.4
AMD EPYC 7282 16-Core
60th
5
7.2
Intel Core i9-9900K
58th
6
6.9
Intel Core i9-9900KS
58th
6
6.9 +/- 0.1
Intel Xeon E-2288G
56th
7
6.7 +/- 0.2
AMD Ryzen 7 3800XT 8-Core
56th
8
6.5 +/- 0.1
AMD EPYC 7F32 8-Core
55th
4
6.4 +/- 0.1
AMD Ryzen 5 5600X 6-Core
53rd
10
6.0 +/- 0.1
AMD Ryzen 7 3700X 8-Core
53rd
7
5.9 +/- 0.2
AMD EPYC 7272 12-Core
52nd
3
5.9
Median
50th
5.7
Intel Core i7-10700T
50th
11
5.6 +/- 0.1
Intel Core i5-10600K
49th
7
5.3 +/- 0.1
AMD Ryzen 7 1800X Eight-Core
48th
9
5.2 +/- 0.2
Intel Core i9-10885H
48th
18
5.1
Intel Xeon E5-1680 v3
45th
3
5.1
Intel Core i7-8086K
45th
3
5.0
Intel Core i7-8700K
43rd
6
4.9 +/- 0.2
AMD Ryzen 7 2700 Eight-Core
43rd
3
4.9 +/- 0.1
AMD Ryzen 5 3600XT 6-Core
43rd
4
4.9 +/- 0.1
Intel Core i7-8700B
42nd
3
4.7
AMD Ryzen 7 1700 Eight-Core
40th
10
4.6 +/- 0.2
AMD Ryzen 5 2600X Six-Core
40th
3
4.6 +/- 0.1
Intel Core i7-9700TE
40th
4
4.5 +/- 0.3
Intel Xeon E5-2687W v3
40th
3
4.5 +/- 0.4
Intel Core i5-9400F
39th
6
4.4
Intel Core i5-8400
38th
7
4.4
AMD EPYC 7262 8-Core
37th
3
4.3
Intel Core i7-9750H
37th
6
4.2 +/- 0.5
AMD EPYC 7252 8-Core
37th
3
4.1
AMD Ryzen 5 4500U
36th
3
4.0 +/- 0.1
Intel Core i7-7740K
35th
3
3.6
Intel Core i7-7700K
34th
3
3.5
AMD Ryzen 3 3100 4-Core
33rd
6
3.3
Intel Core i3-10100
33rd
6
3.2
Intel Xeon E3-1275 v6
31st
6
3.1
AMD Ryzen 3 3300X 4-Core
31st
7
3.1 +/- 0.1
AMD Ryzen 5 3400G
30th
3
3.1
Intel Xeon E3-1270 v5
29th
3
3.1
Intel Core i5-7600K
29th
3
3.0
2 x AMD EPYC 7742 64-Core
29th
4
3.0 +/- 0.4
Intel Core i7-1165G7
28th
11
3.0 +/- 0.4
Intel Core i7-4960X
28th
3
2.9
AMD Ryzen 5 2400G
26th
4
2.9
Intel Xeon E3-1280 v5
26th
11
2.9
Low-Tier
25th
< 2.9
Intel Core i7-5775C
25th
6
2.9
Intel Core i3-8100
24th
7
2.8
Intel Xeon E3-1245 v5
21st
3
2.8
AMD Ryzen 3 1300X
21st
3
2.8
Intel Core i7-1065G7
20th
10
2.7 +/- 0.5
Intel Core i7-8550U
20th
10
2.7 +/- 0.1
Intel Xeon E5-2609 v4
19th
6
2.7
Intel Core i7-6800K
18th
6
2.7
Intel Xeon E3-1240 v5
18th
3
2.7 +/- 0.3
Intel Core i5-4670
18th
3
2.6
Intel Xeon E3-1260L v5
17th
3
2.6
Intel Xeon E3-1231 v3
16th
10
2.6 +/- 0.1
AMD Ryzen 3 2200G
15th
3
2.6
Intel Core i7-8565U
15th
9
2.6 +/- 0.3
Intel Core i5-6500
15th
6
2.6
Intel Core i7-3770K
13th
3
2.5
Intel Core i5-2500K
13th
3
2.4 +/- 0.5
Intel Core i7-6700HQ
13th
3
2.4
Intel Core i5-3470
12th
3
2.3
Intel Core i7-4790K
12th
3
2.3
Intel Xeon E3-1235L v5
10th
6
2.2
Intel Core i7-4770K
9th
3
2.1 +/- 0.1
POWER9 4-Core
9th
6
2.1 +/- 0.1
Intel Core i3-7100
8th
6
1.5
AMD FX-8370 Eight-Core
7th
4
1.5
Intel Pentium G3258
7th
5
1.4 +/- 0.2
AMD FX-8150 Eight-Core
6th
4
1.3
Intel Core i7-5600U
6th
4
1.2
Intel Core i3-4130
6th
3
1.2
AMD Ryzen 3 3200U
5th
4
1.1
Intel Core i7-5960X
4th
4
0.7
Intel Core i7-2700K
3rd
3
0.6
ARMv8 Cortex-A72 4-Core
3rd
3
0.6
AMD A10-7870K Radeon R7 12 Compute Cores 4C
3rd
3
0.4
AMD A10-7850K APU
2nd
7
0.4
OpenBenchmarking.orgDistribution Of Public Results - Model: Rhodopsin Protein724 Results Range From 0 To 40 ns/day0481216202428323640444850100150200250

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.

OpenBenchmarking.orgMinutesTime Required To Complete BenchmarkModel: Rhodopsin ProteinRun-Time246810Min: 1 / Avg: 1.1 / Max: 4

Based on public OpenBenchmarking.org results, the selected test / test configuration has an average standard deviation of 2.4%.

OpenBenchmarking.orgPercent, Fewer Is BetterAverage Deviation Between RunsModel: Rhodopsin ProteinDeviation3691215Min: 0 / Avg: 2.44 / Max: 12

Recent Test Results

OpenBenchmarking.org Results Compare

4 Systems - 62 Benchmark Results

AMD Ryzen 5 3600XT 6-Core - MSI X470 GAMING M7 AC - AMD Starship

Ubuntu 20.10 - 5.8.0-33-generic - GNOME Shell 3.38.1

1 System - 466 Benchmark Results

2 x AMD EPYC 7F72 24-Core - Supermicro H11DSi-NT v2.00 - AMD Starship

Ubuntu 20.10 - 5.10.9-051009-generic - GNOME Shell 3.38.1

3 Systems - 44 Benchmark Results

Intel Core i3-10100 - Gigabyte B460M DS3H - Intel Device 9b63

Ubuntu 20.04 - 5.9.0-050900rc7daily20201002-generic - GNOME Shell 3.36.3

3 Systems - 74 Benchmark Results

2 x AMD EPYC 7601 32-Core - Dell 02MJ3T - AMD 17h

Ubuntu 19.10 - 5.9.0-050900rc6daily20200922-generic - GNOME Shell 3.34.1

3 Systems - 34 Benchmark Results

Intel Xeon E3-1235L v5 - ASRockRack C236M WS - Intel Xeon E3-1200 v5

Ubuntu 20.04 - 5.8.0-050800-generic - GNOME Shell 3.36.4

3 Systems - 38 Benchmark Results

AMD Ryzen 7 1700 Eight-Core - MSI B350 TOMAHAWK - AMD 17h

Ubuntu 20.10 - 5.11.0-rc1-phx - GNOME Shell 3.38.1

2 Systems - 129 Benchmark Results

AMD Ryzen 9 5950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship

Ubuntu 20.10 - 5.11.0-051100rc2daily20210108-generic - GNOME Shell 3.38.1

3 Systems - 32 Benchmark Results

2 x Intel Xeon Gold 5220R - TYAN S7106 - Intel Sky Lake-E DMI3 Registers

Ubuntu 20.04 - 5.9.0-050900rc6-generic - GNOME Shell 3.36.4

3 Systems - 20 Benchmark Results

Intel Xeon E3-1275 v6 - ASUS P10S-M WS - Intel Xeon E3-1200 v6

Ubuntu 20.04 - 5.9.0-050900rc8daily20201007-generic - X Server 1.20.8

3 Systems - 37 Benchmark Results

Intel Core i7-5775C - MSI Z97-G45 GAMING - Intel Broadwell-U DMI

Ubuntu 18.10 - 5.0.0-999-generic - GNOME Shell 3.30.2

3 Systems - 31 Benchmark Results

Intel Core i7-7700K - MSI Z270-A PRO - Intel Xeon E3-1200 v6

Ubuntu 20.04 - 5.9.0-050900rc8daily20201011-generic - X Server 1.20.8

3 Systems - 191 Benchmark Results

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