FMD-PA
From HP-SEE Wiki
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* Main parallel code : ''Gaussian09, NWChem'' | * Main parallel code : ''Gaussian09, NWChem'' | ||
* Pre/post processing code : ''Self-written codes and scripts'' | * Pre/post processing code : ''Self-written codes and scripts'' | ||
| - | * Application tools and libraries : '' | + | * Application tools and libraries : ''-'' |
* Number of cores required : ''16 - 128'' | * Number of cores required : ''16 - 128'' | ||
* Minimum RAM/core required : ''0.5 GB'' | * Minimum RAM/core required : ''0.5 GB'' | ||
Revision as of 14:53, 4 July 2011
Contents |
General Information
- Virtual Research Communities : Computational Chemistry Applications
- Scientific contact : Name Surname, e-mail
- Technical contact : Name Surname, e-mail
- Developers : Computational Chemistry Group of NHRF, Greece
- Web site : http://tobefilledin/
Application and Short Description
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Problems Solved
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Scientific and Social Impact
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Collaborations and Beneficiaries
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Technical features and HP-SEE implementation
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Usage Example
- Primary programming language : Fortran
- Parallel programming paradigm : OpenMP, MPI
- Main parallel code : Gaussian09, NWChem
- Pre/post processing code : Self-written codes and scripts
- Application tools and libraries : -
- Number of cores required : 16 - 128
- Minimum RAM/core required : 0.5 GB
- Storage space during a single run : 20 - 50 GB
- Long-term data storage : 2 - 5 GB
Publications and Presentations
Tobefilledin
