# Beda

### From SNIC Documentation

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|description=throughput cluster resource | |description=throughput cluster resource | ||

|centre=C3SE | |centre=C3SE | ||

- | |software=Abaqus, ABINIT, ANSYS, ASE, BioPerl, BioPython, BLAST, CP2K, Comsol, Dacapo, DIANA, Edge, Efield, Fire, Fluent, GPAW, GROMACS, Gaussian, Gnuplot, Intel compiler suite, Jaguar, LAMMPS, NWChem, NumPy, Octopus, Octave, OpenFOAM, PowerFLOW, Schrodinger, Scipy, Quantum Espresso, R, SIESTA, VASP | + | |software=Abaqus, ABINIT, ANSYS, ASE, BioPerl, BioPython, BLAST, CP2K, Comsol, Dacapo, DIANA, Edge, Efield, Fire, Fluent, GPAW, GROMACS, Gaussian, Gnuplot, Intel compiler suite, Jaguar, LAMMPS, NWChem, NumPy, Octopus, Octave, OpenFOAM, PowerFLOW, Schrodinger, Scipy, Quantum Espresso, R, SIESTA, VASP, VMD |

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## Revision as of 10:54, 17 October 2011

Name | Beda |
---|---|

Description | throughput cluster resource |

Resource type | |

Centre | C3SE |

Is active | |

Start date | |

End date |

## Available software

Software | Field | License | Description |
---|---|---|---|

ABINIT | Computational materials science Computational chemistry |
Free | density-functional theory code |

ANSYS | Computational fluid dynamics | Requires license | large modeling suite |

ASE | Computational materials science | Free | framework for setting up and analyzing atomistic simulations |

Abaqus | Solid mechanics | Requires license | finite-element package |

BLAST | Bioinformatics | Free | package for aligning nucleotide or amino acid sequences |

BioPerl | Bioinformatics | Free | A community effort to produce Perl code which is useful in biology. |

BioPython | Bioinformatics | Free | A set of freely available tools for biological computation written in Python by an international team of developers. |

CP2K | Computational materials science Computational chemistry |
Free | atomistic and molecular simulations code |

Comsol | Computational materials science Computational fluid dynamics |
Site license | Commercial Mulitphysics Similation software |

DIANA | Solid mechanics | Requires license | commercial FEM package |

Dacapo | Computational materials science Computational chemistry |
Free | plane-wave DFT |

Edge | Computational fluid dynamics | unstructured CFD solver | |

Efield | Computational electromagnetics | Requires license | simulation environment for electromagnetic simulations |

Fire | Computational fluid dynamics | Requires license | commercial computational fluid dynamics package |

Fluent | Computational fluid dynamics | Requires license | commercial computational fluid dynamics package |

GPAW | Computational materials science Computational chemistry |
Free | real-space DFT |

GROMACS | Molecular dynamics Computational chemistry Bioinformatics |
Free | versatile package for molecular dynamics |

Gaussian | Computational chemistry | Site license | widely used quantum chemistry software |

Gnuplot | Visualisation | Free | portable command-line driven graphing utility |

Intel compiler suite | System tool | Site license | compilers for C, C++ and Fortran |

Jaguar | Computational chemistry | Requires license | ab initio quantum mechanics |

LAMMPS | Molecular dynamics Computational materials science |
Free | classical molecular dynamics code |

NWChem | |||

NumPy | Scientific computing | Free | the fundamental package needed for scientific computing with Python |

Octave | Scientific computing Visualisation |
Free | numerical computation and visualisation language |

Octopus | Computational materials science Computational chemistry |
Free | time dependent density-functional theory code |

OpenFOAM | Computational fluid dynamics | Free | free, open source CFD software package by OpenCFD Ltd |

PowerFLOW | Computational fluid dynamics | Requires license | commercial computational fluid dynamics package |

Quantum Espresso | Computational materials science Computational chemistry |
Free | DFT based electronic structure modeling codes |

R | Scientific computing Visualisation Programming language |
Free | statistical computing and visualisation language. |

SIESTA | Computational materials science Computational chemistry |
Requires license | density-functional theory code for very large systems |

Schrodinger | |||

Scipy | |||

VASP | Computational materials science Computational chemistry |
Requires license | electronic structure calculation |

VMD | Molecular dynamics Bioinformatics Visualisation |
Free | visualise and analyse large biomolecular systems |