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 2,401 public results since 20 August 2020 with the latest data as of 30 June 2022.
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 0.2%.
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 libm.so.6, libpthread.so.0, libdl.so.2, 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 - 72 Benchmark Results |
AMD EPYC-Rome - QEMU Standard PC - Intel 440FX 82441FX PMC Linuxmint 20.3 - 5.13.0-25-generic - Cinnamon 5.2.7 |
1 System - 73 Benchmark Results |
AMD EPYC-Rome - QEMU Standard PC - Intel 440FX 82441FX PMC Linuxmint 20.3 - 5.13.0-25-generic - Cinnamon 5.2.7 |
1 System - 34 Benchmark Results |
AMD EPYC 7282 16-Core - QEMU Standard PC - Intel 440FX 82441FX PMC Ubuntu 22.04 - 5.15.0-40-generic - GNOME Shell 42.2 |
1 System - 1 Benchmark Result |
2 x AMD EPYC 7551 32-Core - Supermicro H11DSi-NT v2.00 - AMD 17h Ubuntu 22.04 - 5.15.0-40-generic - GNOME Shell 42.2 |
7 Systems - 25 Benchmark Results |
AMD Opteron 4386 - ASUS KCMA-D8 v1.0 - AMD RD890 + SB7x0 Ubuntu 20.04 - 5.8.0-48-generic - GNOME Shell 3.36.7 |
Featured Kernel Comparison |
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4 Systems - 119 Benchmark Results |
2 x AMD EPYC 7601 32-Core - Dell 02MJ3T - AMD 17h Ubuntu 22.04 - 5.15.0-40-generic - GNOME Shell 42.2 |
1 System - 53 Benchmark Results |
AMD EPYC-Rome - QEMU Standard PC - Intel 440FX 82441FX PMC Ubuntu 22.04 - 5.15.0-40-generic - GNOME Shell 42.2 |
1 System - 76 Benchmark Results |
AMD EPYC-Rome - QEMU Standard PC - Intel 440FX 82441FX PMC Ubuntu 22.04 - 5.15.0-40-generic - GNOME Shell 42.2 |
1 System - 76 Benchmark Results |
AMD Ryzen 5 3600 6-Core - ASRock X570 Phantom Gaming 4S - AMD Starship Ubuntu 20.04 - 5.13.0-51-generic - GNOME Shell 3.36.9 |
1 System - 76 Benchmark Results |
AMD EPYC-Rome - QEMU Standard PC - Intel 440FX 82441FX PMC Ubuntu 22.04 - 5.15.0-40-generic - GNOME Shell 42.2 |
2 Systems - 399 Benchmark Results |
Intel Core i7-1280P - MSI MS-14C6 - 8 x 2048 MB 4267MHz H9HCNNNCPMMLXR- Microsoft Windows 11 Home Build 22000 - 10.0.22000.739 - 30.0.101.1369 |
1 System - 160 Benchmark Results |
Intel Core i7-1280P - MSI MS-14C6 - 8 x 2048 MB 4267MHz H9HCNNNCPMMLXR- Microsoft Windows 11 Home Build 22000 - 10.0.22000.739 - 30.0.101.1369 |
4 Systems - 68 Benchmark Results |
2 x Intel Xeon Platinum 8380 - Intel M50CYP2SB2U - Intel Device 0998 AlmaLinux 9.0 - 5.14.0-70.13.1.el9_0.x86_64 - GNOME Shell 40.9 |
1 System - 6 Benchmark Results |
Intel Core i5-8500T - LENOVO 3135 - 16384MB Ubuntu 14.04 - 5.17.7-300.fc36.x86_64 - GCC 4.8.4 |
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 9 3950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.9.0-050900-generic - GNOME Shell 3.36.4 |
4 Systems - 99 Benchmark Results |
Intel Core i7-1165G7 - Dell 0GG9PT - Intel Tiger Lake-LP Ubuntu 20.10 - 5.9.2-050902-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 |
6 Systems - 143 Benchmark Results |
AMD Ryzen 9 5900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.10 - 5.10.0-7.1-liquorix-amd64 - 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 |
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 |
12 Systems - 229 Benchmark Results |
AMD Ryzen 9 3900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.9.0-050900-generic - GNOME Shell 3.36.4 |
3 Systems - 14 Benchmark Results |
Intel Core i7-10700T - Logic Supply RXM-181 - Intel Comet Lake PCH Ubuntu 20.10 - 5.8.0-43-generic - 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 |
4 Systems - 42 Benchmark Results |
AMD Ryzen 9 5950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.8.0-59-generic - GNOME Shell 3.36.9 |
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 |
26 Systems - 438 Benchmark Results |
2 x AMD EPYC 75F3 32-Core - AMD DAYTONA_X - AMD Starship Ubuntu 20.04 - 5.11.0-051100rc6daily20210201-generic - GNOME Shell 3.36.4 |
2 Systems - 403 Benchmark Results |
Intel Core i9-10900K - Gigabyte Z490 AORUS MASTER - Intel Comet Lake PCH Ubuntu 20.10 - 5.8.0-22-generic - GNOME Shell 3.38.0 |
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 |