OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation
Citations Over TimeTop 1% of 2012 papers
Abstract
OpenMM is a software toolkit for performing molecular simulations on a range of high performance computing architectures. It is based on a layered architecture: the lower layers function as a reusable library that can be invoked by any application, while the upper layers form a complete environment for running molecular simulations. The library API hides all hardware-specific dependencies and optimizations from the users and developers of simulation programs: they can be run without modification on any hardware on which the API has been implemented. The current implementations of OpenMM include support for graphics processing units using the OpenCL and CUDA frameworks. In addition, OpenMM was designed to be extensible, so new hardware architectures can be accommodated and new functionality (e.g., energy terms and integrators) can be easily added.
Related Papers
- → Evaluation of CUDA for X-Ray Imaging System(2012)4 cited
- → Secure OS extensibility needn't cost an arm and a leg(2005)1 cited
- Characteristic Analysis and Simulation of Non-Linear Integrator(2003)
- High speed molecular dynamics simulation approach based on CUDA(2013)
- Multi-level Structure Abstract and Description of Supercomputer(2008)