Beda

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Name Beda
Description throughput cluster resource
Resource type compute
Centre C3SE
Is active yes
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

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