# Abisko

### From SNIC Documentation

Name | Abisko |
---|---|

Description | capability resource of 153 TFLOPS with full bisectional infiniband interconnect |

Resource type | compute |

Centre | HPC2N |

Is active | yes |

Start date | November 2011 |

End date |

## Available software

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

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

ACML | System tool Numerical library |
Requires license | efficient mathematics library |

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

ARC client | Grid computing Swestore |
Free | tool for accessing the Grid resources |

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

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

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

Code Saturne | |||

DDT | System tool | Site license | Debugger |

FFTW | Computational science Performance library |
Free | Freely available high performance library to perform fast Fourier transformations |

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 |

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

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

Hdf5 | |||

Inspector | System tool | Site license | memory error and thread checker |

Intel MPI | System tool | Site license | MPI library |

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

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

Matlab | Visualisation Programming language |
Site license | programming language with extensive plotting and graphics functionalities |

Molpro | |||

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

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

Nwchem | |||

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

Open MPI | System tool | Free | open source MPI library |

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

PGI | System tool | Site license | compiler suite |

PathScale | System tool | Site license | compiler suite |

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. |

Rosetta | Bioinformatics | Site license | protein structure prediction suite |

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

SciPy | Scientific computing | Free | open-source software for mathematics, science, and engineering. |

TURBOMOLE | |||

Trace analyzer and collector | System tool | Site license | MPI job analyser tool |

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

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

VTune Amplifier | System tool | Site license | threading and performance optimization tool |