Beda
From SNIC Documentation
(Redirected from User:Mattias Slabanja (C3SE)/Beda)
| Name | Beda |
|---|---|
| Description | throughput cluster resource |
| Resource type | compute |
| Centre | C3SE |
| Is active | no |
| 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 |
