NAMD CUDA

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; the non-CUDA version of this test profile is pts/namd.

NAMD CUDA 3.0.1

Input: STMV with 1,066,628 Atoms

OpenBenchmarking.org metrics for this test profile configuration based on 51 public results since 25 January 2025 with the latest data as of 28 January 2025.

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.