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 174 public results since 23 September 2024 with the latest data as of 10 November 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 3.0 - Input: ATPase with 327,506 Atoms) has an average run-time of 3 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 0.2%.
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.
Featured Processor Comparison |
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Featured Processor Comparison |
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Featured Processor Comparison |
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2 Systems - 69 Benchmark Results |
2 x Intel Xeon E5-2680 v4 - Dell PowerEdge R630 02C2CP - 98GB Debian GNU - 6.8.12-3-pve - GCC 12.2.0 |
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33 Systems - 367 Benchmark Results |
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2 Systems - 78 Benchmark Results
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AMD Ryzen 7 PRO 6850U - LENOVO ThinkPad X13 Gen 3 21CM0001US - AMD 17h-19h PCIe Root Complex Ubuntu 24.04 - 6.10.0-061000rc4daily20240621-generic - GNOME Shell 46.0
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2 Systems - 40 Benchmark Results
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2 x Intel Xeon E5-2680 v4 - Dell PowerEdge R630 02C2CP - 98GB Debian GNU - 6.8.12-3-pve - GCC 12.2.0
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Featured Kernel Comparison
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1 System - 1 Benchmark Result
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AMD Ryzen 9 5900X 12-Core - 32GB - 0GB Virtual Disk + 9GB Virtual Disk + 1100GB Virtual Disk Ubuntu 22.04 - 5.15.153.1-microsoft-standard-WSL2 - Wayland
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1 System - 35 Benchmark Results
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AMD Ryzen 7 8700G - ASUS ProArt X670E-CREATOR WIFI - 64GB Ubuntu 22.04.5 LTS - 6.11.5-arch1-1 - NVIDIA
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2 Systems - 63 Benchmark Results
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AMD Ryzen 9 5900HX - ASUS ROG Strix G513QY_G513QY G513QY v1.0 - AMD Renoir Ubuntu 24.04 - 6.10.0-061000rc4daily20240621-generic - GNOME Shell 46.0
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1 System - 10 Benchmark Results
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AMD Ryzen 7 7800X3D 8-Core - Gigabyte B650 EAGLE AX - AMD Device 14d8 Arch Linux - 6.11.5-arch1-1 - GCC 14.2.1 20240910
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8 Systems - 25 Benchmark Results
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AMD Opteron 4386 - ASUS KCMA-D8 v1.0 - AMD RD890 + SB7x0 Ubuntu 20.04 - 5.8.0-48-generic - GNOME Shell 3.36.7
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2 Systems - 4 Benchmark Results
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AMD Ryzen 9 5900X 12-Core - ASRock X570 Steel Legend - AMD Starship Ubuntu 24.04 - 6.8.0-47-generic - GNOME Shell 46.0
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2 Systems - 84 Benchmark Results
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Intel Core Ultra 9 285K - ASUS ROG MAXIMUS Z890 HERO - Intel Device ae7f Ubuntu 24.10 - 6.11.0-9-generic - GNOME Shell 47.0 |
2 Systems - 54 Benchmark Results |
Intel Core Ultra 7 256V - ASUS Zenbook S 14 UX5406SA_UX5406SA UX5406SA v1.0 - Intel Device a87f Ubuntu 24.10 - 6.11.0-phx - GNOME Shell 47.0 |
2 Systems - 79 Benchmark Results |
Intel Core i9-14900K - ASUS PRIME Z790-P WIFI - Intel Raptor Lake-S PCH Ubuntu 24.04 - 6.10.0-061000rc6daily20240706-generic - GNOME Shell 46.0 |
2 Systems - 79 Benchmark Results |
Intel Core i9-14900K - ASUS PRIME Z790-P WIFI - Intel Raptor Lake-S PCH Ubuntu 24.04 - 6.10.0-061000rc6daily20240706-generic - GNOME Shell 46.0 |
2 Systems - 28 Benchmark Results |
Intel Xeon 6980P - Intel BIRCHSTREAM - Intel Ice Lake IEH Ubuntu 24.04 - 6.8.0-22-generic - GCC 13.2.0 |
2 Systems - 28 Benchmark Results |
Intel Xeon 6980P - Intel BIRCHSTREAM - Intel Ice Lake IEH Ubuntu 24.04 - 6.8.0-22-generic - GCC 13.2.0 |
Featured Screen Resolution Comparison |
AMD Ryzen AI 9 HX 370 - ASUS Zenbook S 16 UM5606WA_UM5606WA UM5606WA v1.0 - AMD Device 1507 Ubuntu 24.10 - 6.11.0-rc6-phx - GNOME Shell 47.0 |
Featured Screen Resolution Comparison |
AMD Ryzen AI 9 HX 370 - ASUS Zenbook S 16 UM5606WA_UM5606WA UM5606WA v1.0 - AMD Device 1507 Ubuntu 24.10 - 6.11.0-rc6-phx - GNOME Shell 47.0 |
2 Systems - 82 Benchmark Results |
2 x Intel Xeon 6980P - Intel BIRCHSTREAM - Intel Ice Lake IEH Ubuntu 24.04 - 6.8.0-45-generic - GCC 13.2.0 |
4 Systems - 8 Benchmark Results |
AMD Ryzen Threadripper 3990X 64-Core - Gigabyte TRX40 AORUS PRO WIFI - AMD Starship Pop 22.04 - 6.8.0-76060800daily20240311-generic - GNOME Shell 42.5 |
3 Systems - 3 Benchmark Results |
Intel Core Ultra 7 155H - MTL Swift SFG14-72T Coral_MTH - Intel Device 7e7f Ubuntu 24.10 - 6.11.0-rc6-phx - GNOME Shell 47.0 |
5 Systems - 2 Benchmark Results |
AMD Ryzen Threadripper 7980X 64-Cores - System76 Thelio Major - AMD Device 14a4 Ubuntu 24.10 - 6.11.0-7-generic - GNOME Shell 47.0 |
2 Systems - 37 Benchmark Results |
AMD Ryzen Threadripper 3970X 32-Core - ASUS ROG ZENITH II EXTREME - AMD Starship Ubuntu 22.04 - 6.8.0-40-generic - GNOME Shell 42.9 |
Featured Memory Comparison |
Intel Core Ultra 9 285K - ASUS ROG MAXIMUS Z890 HERO - Intel Device ae7f Ubuntu 24.10 - 6.11.0-9-generic - GNOME Shell 47.0 |
3 Systems - 15 Benchmark Results |
AMD Ryzen 7 5800X3D 8-Core - MSI X370 XPOWER GAMING TITANIUM - AMD Starship Debian 12 - 6.1.0-25-amd64 - X Server 1.20.11 |
3 Systems - 60 Benchmark Results |
AMD Ryzen 9 3900XT 12-Core - MSI MEG X570 GODLIKE - AMD Starship Ubuntu 22.04 - 6.8.0-47-generic - GNOME Shell 42.9 |