Information about software packages installed on the ICHEC systems.
OpenMM is a library which provides tools for modern molecular modeling simulation. As a library it can be hooked into any code, allowing that code to do molecular modeling with minimal extra coding. It supports hardware specific optimisations for multi- and many-cores, such as SSE, OpenCL and CUDA.
OpenMM is released under a mixture of free licenses which are bound to the various parts of the codes. Those licenses include the MIT license, the GNU GLP license, the BSD license and a few specific licenses. Please refer to the OpenMM license for further details.
OpenMM is used on Stoney for the GPU-accelerated version of GROMACS. It can however be used for other codes and/or for new developments.
To use the OpenMM library on Stoney, load the relevant environment module: