# Lindgren

### From SNIC Documentation

Revision as of 12:53, 24 October 2013 by Jonathan Vincent (PDC) (Talk | contribs)

Name | Lindgren |
---|---|

Description | Cray XE6 capability cluster with 305 TFLOPS peak performance |

Resource type | compute |

Centre | PDC |

Is active | yes |

Start date | July 2010 |

End date | June 2014 |

## Available software

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

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

Amber | Computational chemistry Molecular dynamics |
Requires license | molecular dynamics |

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

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

DDT | System tool | Site license | Debugger |

Dalton | Computational chemistry | powerful molecular electronic structure program. | |

Desmond | Molecular dynamics Computational chemistry |
Free | molecular dynamics package |

ESPResSo | Computational materials science Computational chemistry |
Free | molecular dynamics of soft matter systems |

Edge | Computational fluid dynamics | unstructured CFD solver | |

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

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

GAMESS | Computational materials science Computational chemistry |
Free | ab initio quantum chemistry |

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

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

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

MKL | System tool | Site license | efficient mathematics library |

MPQC | Computational chemistry | Free | ab initio quantum chemistry |

NAMD | Computational chemistry Molecular dynamics |
Free | parallel molecular dynamics code |

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

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

PGI | System tool | Site license | compiler suite |

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 |

STAR-CD | Computational fluid dynamics | Requires license | commercial computational fluid dynamics package |

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

TAU | Performance optimisation Parallel programming Computational science |
Free | profiling and tracing tool-kit for performance analysis of parallel programs |

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