OpenMM
Description
From the OpenMM web site: OpenMM is an extensible library that enables accelerated calculations for molecular dynamics on high-performance computer architectures, currently for high-end NVIDIA and ATI GPU cards. OpenMM 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. Moreover, OpenMM has a strong emphasis on hardware acceleration, thus providing not just a consistent API, but much greater performance than what one could get from just about any other code available.
Version
- 6.1
Authorized Users
CIRCE
account holdersRRA
account holdersSC
account holders
Platforms
CIRCE
clusterRRA
clusterSC
cluster
Modules
OpenMM requires the following module file to run:
apps/openmm/6.1
- See Modules for more information.
Documentation
Home Page, User Guides, and Manuals
- OpenMM Home Page
- OpenMM Users’ Guide
- /apps/openmm/6.1/docs/OpenMMUsersGuide.pdf
- OpenMM Developer Guide
- /apps/openmm/6.1/docs/OpenMMDeveloperGuide.pdf
- OpenMM API Docs
- https://simtk.org/api_docs/openmm/api6_0/c++/
- https://simtk.org/api_docs/openmm/api6_0/python/
- /apps/openmm/6.1/docs/C++ API Reference.html
- /apps/openmm/6.1/docs/Python API Reference.html
Reporting Bugs
Report bugs with OpenMM to the IT Help Desk: rc-help@usf.edu