NAMD
NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD was developed by the Theoretical and Computational Biophysics Group in the Beckman Institute for Advanced Science and Technology at the University of Illinois at Urbana-Champaign.
To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark namd.
Project Site
ks.uiuc.eduTest Created
19 September 2018Last Updated
7 June 2024Test Maintainer
Michael LarabelTest Type
ProcessorAverage Install Time
3 SecondsAverage Run Time
6 Minutes, 57 SecondsAccolades
70k+ Downloads + 5k+ Public Benchmark ResultsSupported Platforms
Supported Architectures
** 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 19 September 2024.
Suites Using This Test
Performance Metrics
Analyze Test Configuration:NAMD 3.0b6
Input: STMV with 1,066,628 Atoms
OpenBenchmarking.org metrics for this test profile configuration based on 843 public results since 16 February 2024 with the latest data as of 19 September 2024.
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 (NAMD 3.0b6 - Input: STMV with 1,066,628 Atoms) has an average run-time of 10 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 0.3%.
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.
This test profile binary relies on the shared libraries libpthread.so.0, libdl.so.2, libm.so.6, libmvec.so.1, libz.so.1, libc.so.6.
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.
Recent Test Results
Compare
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2 Systems - 35 Benchmark Results |
AMD EPYC 9354P 32-Core - Dell PowerEdge R7615 [0G9DHV] - AMD Device 14a4 Debian 12 - 6.5.13-5-pve - GCC 12.2.0 |
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3 Systems - 120 Benchmark Results |
2 x AMD EPYC 7773X 64-Core - AMD DAYTONA_X - AMD Starship Ubuntu 24.04 - 6.8.0-41-generic - GNOME Shell 46.0 |
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4 Systems - 116 Benchmark Results |
2 x AMD EPYC 7303 16-Core - AMD DAYTONA_X - AMD Starship Ubuntu 24.04 - 6.8.0-31-generic - GNOME Shell 46.0 |
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1 System - 1043 Benchmark Results |
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1 System - 22 Benchmark Results
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AMD Ryzen 9 5900X 12-Core - MSI B550-A PRO - AMD Starship Debian 12 - 6.1.0-23-amd64 - KDE Plasma 5.27.5
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1 System - 35 Benchmark Results
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AMD EPYC 9654 96-Core - Supermicro AS-2015HS-TNR H13SSH - AMD Device 14a4 Ubuntu 24.04 - 6.8.0-41-generic - GCC 13.2.0
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Featured Graphics Comparison
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3 Systems - 106 Benchmark Results
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Intel Core i9-10980XE - ASRock X299 Steel Legend - Intel Sky Lake-E DMI3 Registers Ubuntu 22.04 - 6.5.0-35-generic - GNOME Shell 42.9
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1 System - 84 Benchmark Results
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AMD Ryzen 7 5800X3D 8-Core - MSI X370 XPOWER GAMING TITANIUM - AMD Starship Debian 12 - 6.1.0-22-amd64 - X Server 1.20.11
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2 Systems - 38 Benchmark Results
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2 x Intel Xeon - Google Compute Engine - 128GB Ubuntu 20.04.4 LTS - 6.1.75+ - GCC 9.4.0
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2 Systems - 38 Benchmark Results
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2 x Intel Xeon - Google Compute Engine - 128GB Ubuntu 20.04.4 LTS - 6.1.75+ - GCC 9.4.0
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1 System - 37 Benchmark Results
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AMD Ryzen 7 8700G - 30GB - 0GB Virtual Disk + 9GB Virtual Disk + 1100GB Virtual Disk Ubuntu 24.04 - 6.1.21.2-microsoft-standard-WSL2+ - Wayland
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1 System - 35 Benchmark Results
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Intel Core i7-14700HX - 32GB - 0GB Virtual Disk + 9GB Virtual Disk + 3 x 1100GB Virtual Disk Ubuntu 22.04 - 5.15.153.1-microsoft-standard-WSL2 - X Server + Wayland
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4 Systems - 99 Benchmark Results
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AMD Ryzen 9 9950X 16-Core - ASUS ROG STRIX X670E-E GAMING WIFI - AMD Device 14d8 cachyos rolling - 6.10.5-2-cachyos - KDE Plasma 6.1.4
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3 Systems - 99 Benchmark Results
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AMD Ryzen 9 9950X 16-Core - ASUS ROG STRIX X670E-E GAMING WIFI - AMD Device 14d8 Ubuntu 24.04 - 6.8.0-40-generic - GNOME Shell 46.0 |
Most Popular Test Results
Compare
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3 Systems - 413 Benchmark Results |
AMD Ryzen 7 7840U - Framework Laptop 13 - AMD Device 14e8 Ubuntu 24.04 - 6.10.0-061000rc4daily20240621-generic - GNOME Shell 46.0 |
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18 Systems - 442 Benchmark Results |
AMD Ryzen 9 7950X 16-Core - ASUS ROG STRIX X670E-E GAMING WIFI - AMD Device 14d8 Ubuntu 24.04 - 6.10.0-061000rc2-generic - GNOME Shell 46.0 |
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3 Systems - 26 Benchmark Results |
Intel Core i7-1280P - MSI Prestige 14Evo A12M MS-14C6 - Intel Alder Lake PCH Ubuntu 23.10 - 6.7.0-060700-generic - GNOME Shell 45.2 |
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Featured Kernel Comparison |
2 x AMD EPYC 9684X 96-Core - AMD Titanite_4G - AMD Device 14a4 Ubuntu 23.10 - 6.8.0-060800-generic - GCC 13.2.0 |
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2 Systems - 1012 Benchmark Results |
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6 Systems - 119 Benchmark Results
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AMD Ryzen 9 7950X 16-Core - ASUS ROG STRIX X670E-E GAMING WIFI - AMD Device 14d8 Ubuntu 24.04 - 6.8.0-31-generic - GNOME Shell 46.0
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3 Systems - 111 Benchmark Results
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2 x AMD EPYC 9734 112-Core - AMD Titanite_4G - AMD Device 14a4 Ubuntu 24.04 - 6.8.0-22-generic - GCC 13.2.0
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2 Systems - 95 Benchmark Results
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16 x AMD Ryzen 7 5700G - Intel 440BX - Intel 440BX Ubuntu 22.04 - 6.5.0-41-generic - GNOME Shell 42.9
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76 Systems - 921 Benchmark Results
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Intel Core i9-14900K - ASUS PRIME Z790-P - Intel Device 7a27 SystemRescue 10.01 - 6.1.30-1-lts - X Server 1.21.1.8
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2 Systems - 29 Benchmark Results
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Intel Core i7-1185G7 - Dell XPS 13 9310 0DXP1F - Intel Tiger Lake-LP Ubuntu 23.10 - 6.7.0-060700rc5-generic - GNOME Shell 45.1
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2 Systems - 52 Benchmark Results
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2 x INTEL XEON PLATINUM 8592+ - Quanta Cloud QuantaGrid D54Q-2U S6Q-MB-MPS - Intel Device 1bce Ubuntu 23.10 - 6.6.0-060600-generic - GCC 13.2.0
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4 Systems - 125 Benchmark Results
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2 x INTEL XEON PLATINUM 8592+ - Quanta Cloud QuantaGrid D54Q-2U S6Q-MB-MPS - Intel Device 1bce CentOS Stream 9 - 5.14.0-419.el9.x86_64 - GNOME Shell 40.10
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2 Systems - 54 Benchmark Results
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AMD EPYC 8534P 64-Core - AMD Cinnabar - AMD Device 14a4 Ubuntu 23.10 - 6.5.0-15-generic - GNOME Shell
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2 Systems - 37 Benchmark Results
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AMD Ryzen 9 5950X 16-Core - ASRock X570 Steel Legend - AMD Starship EndeavourOS rolling - 6.9.9-arch1-1 - KDE Plasma 6.1.2
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2 Systems - 29 Benchmark Results
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Intel Core i7-1185G7 - Dell XPS 13 9310 0DXP1F - Intel Tiger Lake-LP Ubuntu 23.10 - 6.7.0-060700rc5-generic - GNOME Shell 45.1 |