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.
OpenBenchmarking.org metrics for this test profile configuration based on 4,199 public results since 20 August 2020 with the latest data as of 20 March 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 2.14 - ATPase Simulation - 327,506 Atoms) has an average run-time of 6 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%.
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 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.
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 - 27 Benchmark Results |
AMD Ryzen 7 7840HS - PELADN HA-4 - AMD Device 14e8 Clear Linux OS 41040 - 6.7.4-1406.native - GNOME Shell 45.4 |
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2 Systems - 105 Benchmark Results |
AMD Ryzen Threadripper PRO 7995WX 96-Cores - HP 8B24 - AMD Device 14a4 Ubuntu 23.10 - 6.5.0-10-generic - GNOME Shell 45.0 |
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1 System - 1 Benchmark Result |
Intel Pentium N3520 - HP 2209 v57.28 - Intel Atom Z36xxx Debian 11 - 5.10.0-25-amd64 - GNOME Shell 3.38.6 |
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5 Systems - 587 Benchmark Results |
Intel Core i3-14100 - ASUS PRIME Z790-P WIFI - Intel Device 7a27 Ubuntu 23.10 - 6.7.3-060703-generic - GNOME Shell 45.2 |
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1 System - 5 Benchmark Results |
Intel Core i5-6600K - BIOSTAR TB250-BTC - Intel Xeon E3-1200 v5 Ubuntu 22.04 - 6.5.0-15-generic - LXQt 0.17.0 |
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1 System - 1253 Benchmark Results |
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1 System - 25 Benchmark Results
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2 x Intel Xeon E5-2620 0 - ASUS Z9PE-D16 - Intel Xeon E5 Ubuntu 22.04 - 5.15.0-92-generic - X Server 1.20.11
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13 Systems - 129 Benchmark Results
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AMD Ryzen 7 5800X3D 8-Core - ASRock B550 Phantom Gaming-ITX/ax - 32GB Ubuntu 20.04.4 LTS - 6.6.13-200.fc39.x86_64 - GCC 9.4.0
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Featured Kernel Comparison
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5 Systems - 129 Benchmark Results
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AMD Ryzen 7 5800X3D 8-Core - ASRock B550 Phantom Gaming-ITX/ax - 32GB Ubuntu 20.04.4 LTS - 6.6.13-200.fc39.x86_64 - GCC 9.4.0
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3 Systems - 129 Benchmark Results
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AMD Ryzen 7 5800X3D 8-Core - ASRock B550 Phantom Gaming-ITX/ax - 32GB Ubuntu 20.04.4 LTS - 6.6.12-200.fc39.x86_64 - GCC 9.4.0
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4 Systems - 61 Benchmark Results
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AMD Ryzen 5 5600G - MSI MPG B550 GAMING EDGE WIFI - AMD Renoir Arch rolling - 6.6.10-arch1-1 - KDE Plasma 5.27.10
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4 Systems - 61 Benchmark Results
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AMD Ryzen 5 5600G - MSI MPG B550 GAMING EDGE WIFI - AMD Renoir Arch rolling - 6.6.10-arch1-1 - KDE Plasma 5.27.10
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1 System - 129 Benchmark Results
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AMD Ryzen 7 5800X3D 8-Core - ASRock B550 Phantom Gaming-ITX/ax - 32GB Ubuntu 20.04.4 LTS - 6.6.12-200.fc39.x86_64 - GCC 9.4.0
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1 System - 36 Benchmark Results
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2 x AMD EPYC 7642 48-Core - Supermicro Super Server H11DSi v2.00 - AMD Starship Ubuntu 22.04 - 6.2.0-39-generic - GNOME Shell 42.2 |
3 Systems - 268 Benchmark Results |
Intel Core i5-2520M - HP 161C - Intel 2nd Generation Core DRAM Ubuntu 18.04 - 4.18.0-20-generic - GNOME Shell 3.28.3 |
11 Systems - 217 Benchmark Results |
AMD Ryzen 5 2600 Six-Core - ASUS ROG CROSSHAIR VIII HERO - AMD 17h Ubuntu 20.04 - 5.9.0-050900-generic - GNOME Shell 3.36.4 |
4 Systems - 99 Benchmark Results |
Apple - Apple Mac mini - 8GB macOS 11.0 - 20.1.0 - OpenCL 1.2 |
3 Systems - 189 Benchmark Results |
AMD EPYC 7763 64-Core - Supermicro H12SSL-i v1.01 - AMD Starship Ubuntu 20.04 - 5.12.0-051200rc6daily20210408-generic - GNOME Shell 3.36.4 |
4 Systems - 42 Benchmark Results |
AMD Ryzen 9 5950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 21.04 - 5.11.0-22-generic - GNOME Shell 3.38.4 |
6 Systems - 143 Benchmark Results |
AMD Ryzen 9 5900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.10 - 5.10.7-051007-generic - GNOME Shell 3.38.1 |
3 Systems - 174 Benchmark Results |
Intel Core i9-10900K - Gigabyte Z490 AORUS MASTER - Intel Comet Lake PCH Fedora 32 - 5.6.6-300.fc32.x86_64 - GNOME Shell 3.36.1 |
3 Systems - 101 Benchmark Results |
Intel Core i9-10980XE - ASRock X299 Steel Legend - Intel Sky Lake-E DMI3 Registers Ubuntu 20.10 - 5.8.0-50-generic - GNOME Shell 3.38.1 |
8 Systems - 439 Benchmark Results |
AMD Ryzen 9 5950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 21.04 - 5.12.0-051200rc3daily20210315-generic - GNOME Shell 3.38.3 |
4 Systems - 110 Benchmark Results |
Intel Core i7-1165G7 - Dell 0GG9PT - Intel Tiger Lake-LP Fedora 33 - 5.8.15-301.fc33.x86_64 - GNOME Shell 3.38.2 |
Featured Kernel Comparison |
AMD Ryzen 9 5900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.10 - 5.10.0-051000daily20201222-generic - GNOME Shell 3.38.1 |
8 Systems - 84 Benchmark Results |
Intel Xeon E-2288G - Compulab SBC-ATCFL v1.2 - Intel Cannon Lake PCH Ubuntu 20.10 - 5.8.0-26-generic - GNOME Shell 3.38.1 |
5 Systems - 107 Benchmark Results |
Intel Core i9-12900K - ASUS ROG STRIX Z690-E GAMING WIFI - Intel Device 7aa7 Ubuntu 21.10 - 5.17.0-051700rc3-generic - GNOME Shell 40.5 |
3 Systems - 376 Benchmark Results |
2 x AMD EPYC 7F72 24-Core - Supermicro H11DSi-NT v2.00 - AMD Starship Ubuntu 20.10 - 5.11.0-051100rc4daily20210122-generic - GNOME Shell 3.38.1 |
Featured OS Comparison |
AMD Ryzen 9 5900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - 2 x 8192 MB 3600MHz F4-3600C16-8GTRG Microsoft Windows 11 Pro Build 22000 - 10.0 - 471.68 |