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.
* Uploading of benchmark result data to OpenBenchmarking.org is always optional (opt-in) via the Phoronix Test Suite for users wishing to share their results publicly. ** 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 21 April 2024.
Revision History
pts/namd-1.3.1 [View Source] Fri, 16 Feb 2024 14:24:47 GMT Update against NAMD 3.0b6 but no Windows binaries yet.
pts/namd-1.2.1 [View Source] Fri, 28 Aug 2020 06:28:19 GMT Fix checksum on NAMD 2.14 Linux build as apparently it changed upstream.
pts/namd-1.2.0 [View Source] Thu, 20 Aug 2020 10:53:15 GMT Update against new upstream NAMD 2.14 release.
pts/namd-1.1.0 [View Source] Sat, 29 Feb 2020 08:14:38 GMT Overdue been meaning to bump upstream from beta to final 2.13.
OpenBenchmarking.org metrics for this test profile configuration based on 238 public results since 16 February 2024 with the latest data as of 25 April 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: ATPase with 327,506 Atoms) has an average run-time of 5 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 0.4%.
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.