Difference between revisions of "OpenMM"
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''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. | ''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. | ||
{{AppStandardHeader|6.1|openmm}} | |||
* | {{Documentation}} | ||
*OpenMM Home Page | |||
**https://simtk.org/home/openmm | |||
*OpenMM Users’ Guide | |||
* | |||
* | |||
* Users’ Guide | |||
** /apps/openmm/6.1/docs/OpenMMUsersGuide.pdf | ** /apps/openmm/6.1/docs/OpenMMUsersGuide.pdf | ||
*OpenMM Developer Guide | |||
* Developer Guide | |||
** /apps/openmm/6.1/docs/OpenMMDeveloperGuide.pdf | ** /apps/openmm/6.1/docs/OpenMMDeveloperGuide.pdf | ||
*OpenMM API Docs | |||
* API Docs | |||
** https://simtk.org/api_docs/openmm/api6_0/c++/ | ** https://simtk.org/api_docs/openmm/api6_0/c++/ | ||
** https://simtk.org/api_docs/openmm/api6_0/python/ | ** https://simtk.org/api_docs/openmm/api6_0/python/ |
Revision as of 18:21, 29 June 2016
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