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. This version of the NAMD test profile uses CUDA GPU acceleration.
To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark namd-cuda.
OpenBenchmarking.org metrics for this test profile configuration based on 597 public results since 27 August 2020 with the latest data as of 15 August 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 CUDA 2.14 - ATPase Simulation - 327,506 Atoms) 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 1.1%.
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 libm.so.6, libpthread.so.0, libdl.so.2, librt.so.1, libz.so.1, libc.so.6.
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.
1 System - 1 Benchmark Result |
Intel Core i9-13900TE - Neousys SEMIL-2000 SML-2000 - Intel Alder Lake-S PCH Ubuntu 20.04 - 5.15.0-117-generic - GNOME Shell 3.36.9 |
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1 System - 116 Benchmark Results |
AMD Ryzen 7 3700X 8-Core - ASUS TUF GAMING X570-PLUS - AMD Starship RockyLinux 9.4 - 6.1.102-1.el9.elrepo.x86_64 - KDE Plasma 5.27.11 |
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2 Systems - 130 Benchmark Results |
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2 Systems - 6 Benchmark Results
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AMD Ryzen 9 5950X 16-Core - ASUS ROG STRIX B550-E GAMING - AMD Starship Ubuntu 20.04 - 5.4.0-182-generic - X Server 1.20.13
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2 Systems - 6 Benchmark Results
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AMD Ryzen 9 5950X 16-Core - ASUS ROG STRIX B550-E GAMING - AMD Starship Ubuntu 20.04 - 5.4.0-182-generic - X Server 1.20.13
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1 System - 9 Benchmark Results
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Intel Core i7-12700H - System76 Oryx Pro - Intel Alder Lake PCH Pop 22.04 - 6.8.0-76060800daily20240311-generic - GNOME Shell 42.9
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1 System - 10 Benchmark Results
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Intel Core i7-12700H - System76 Oryx Pro - Intel Alder Lake PCH Pop 22.04 - 6.8.0-76060800daily20240311-generic - GNOME Shell 42.9
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1 System - 7 Benchmark Results
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Intel Core i7-12700H - System76 Oryx Pro - Intel Alder Lake PCH Pop 22.04 - 6.8.0-76060800daily20240311-generic - GNOME Shell 42.9
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1 System - 8 Benchmark Results
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Intel Core i7-12700H - System76 Oryx Pro - Intel Alder Lake PCH Pop 22.04 - 6.8.0-76060800daily20240311-generic - GNOME Shell 42.9
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1 System - 2 Benchmark Results
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Intel Core i7-12700H - System76 Oryx Pro - Intel Alder Lake PCH Pop 22.04 - 6.8.0-76060800daily20240311-generic - GNOME Shell 42.9
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1 System - 8 Benchmark Results
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Intel Core i7-12700H - System76 Oryx Pro - Intel Alder Lake PCH Pop 22.04 - 6.8.0-76060800daily20240311-generic - GNOME Shell 42.9
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1 System - 6 Benchmark Results
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Intel Core i7-12700H - System76 Oryx Pro - Intel Alder Lake PCH Pop 22.04 - 6.8.0-76060800daily20240311-generic - GNOME Shell 42.9
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1 System - 7 Benchmark Results
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Intel Core i7-12700H - System76 Oryx Pro - Intel Alder Lake PCH Pop 22.04 - 6.8.0-76060800daily20240311-generic - GNOME Shell 42.9
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1 System - 1 Benchmark Result
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Intel Core i7-12700H - System76 Oryx Pro - Intel Alder Lake PCH Pop 22.04 - 6.8.0-76060800daily20240311-generic - GNOME Shell 42.9
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1 System - 7 Benchmark Results
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Intel Core i7-12700H - System76 Oryx Pro - Intel Alder Lake PCH Pop 22.04 - 6.8.0-76060800daily20240311-generic - GNOME Shell 42.9 |
13 Systems - 23 Benchmark Results |
AMD Ryzen 9 3950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.4.0-42-generic - GNOME Shell 3.36.4 |
Featured Graphics Comparison |
AMD Ryzen 9 5900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.8.0-48-generic - GNOME Shell 3.36.7 |
17 Systems - 41 Benchmark Results |
AMD Ryzen 9 5900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.11.0-37-generic - GNOME Shell 3.36.9 |
3 Systems - 67 Benchmark Results |
AMD Ryzen 9 5900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.11.0-37-generic - GNOME Shell 3.36.9 |
3 Systems - 253 Benchmark Results |
Intel Core i9-10885H - HP 8736 - Intel Comet Lake PCH Ubuntu 20.04 - 5.6.0-1034-oem - GNOME Shell 3.36.4 |
3 Systems - 177 Benchmark Results |
AMD Ryzen 9 5950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 21.10 - 5.13.0-22-generic - GNOME Shell 40.5 |
12 Systems - 59 Benchmark Results |
AMD Ryzen 9 5950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.10 - 5.8.0-41-generic - GNOME Shell 3.38.2 |
Featured Graphics Comparison |
AMD Ryzen 9 5900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 21.10 - 5.13.0-14-generic - GNOME Shell 40.2 |
Featured Graphics Comparison |
AMD Ryzen 9 5900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 21.04 - 5.11.0-17-generic - GNOME Shell 3.38.4 |
3 Systems - 100 Benchmark Results |
AMD Ryzen 9 5900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.8.0-48-generic - GNOME Shell 3.36.7 |
Featured Graphics Comparison |
AMD Ryzen 9 5950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.10 - 5.8.0-44-generic - GNOME Shell 3.38.2 |
3 Systems - 75 Benchmark Results |
Intel Core i9-10980XE - ASRock X299 Steel Legend - Intel Sky Lake-E DMI3 Registers Ubuntu 20.04 - 5.4.0-48-generic - GNOME Shell 3.36.3 |
17 Systems - 41 Benchmark Results |
AMD Ryzen 9 5900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.11.0-37-generic - GNOME Shell 3.36.9 |
Featured Graphics Comparison |
AMD Ryzen 9 3950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.4.0-45-generic - GNOME Shell 3.36.4 |
Featured Graphics Comparison |
AMD Ryzen 9 5950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.10 - 5.8.0-41-generic - GNOME Shell 3.38.2 |