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doku:software [2022/06/23 13:35] – [Documentation] msiegel | doku:software [2023/12/23 09:57] – amelic | ||
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====== Currently installed software ====== | ====== Currently installed software ====== | ||
- | < | + | In order to use one of the following applications: |
- | In order to use one of the following applications, | + | |
- | * < | + | |
- | the user has to be < | + | |
- | Please, __**[[doku:contact|contact]]**__ us for adding you to the user group. | + | |
- | ==== VSC-3 ==== | + | * Gaussian |
+ | * VASP | ||
+ | * Wien2k | ||
- | In order to set environment variables needed for a specific application, | + | the user has to be **member** of the respective user group. |
- | < | + | Please, [[doku: |
- | [username@l34 ~]$ module avail # lists the **available** Application-Software, | + | |
- | # Compilers, Parallel-Environment, | + | |
- | [username@l34 ~]$ module list # shows currently loaded package of your session | + | |
- | [username@l34 ~]$ module unload <xyz> # unload a particular package <xyz> from your session | + | |
- | [username@l34 ~]$ module load < | + | |
- | </ | + | |
- | + | ||
- | == Note: == | + | |
- | - **< | + | Please be mindful that not every research institution (e.g. universities) has licenses for the respective software packages. Please check whether each package (Comsol, Ansys, OpenFOAM) is accessible for your research institution. |
- | - a list of '' | + | |
- | When all required/ | ||
- | |||
- | ==== Documentation ==== | ||
Documentation of the following software is available (list incomplete): | Documentation of the following software is available (list incomplete): | ||
- | + | | |
- | + | * [[doku:ansys|ANSYS]] | |
- | | + | * [[doku: |
- | *[[doku:AMBER]] | + | * [[doku: |
- | *[[doku:antares|ANTARES]] | + | * [[doku:comsol|COMSOL]] |
- | *[[doku: | + | * [[doku:cmtk|Computational Morphometry Toolkit (CMTK)]] |
- | *[[doku:cmtk|Computational Morphometry Toolkit (CMTK)]] | + | * [[doku: |
- | *[[doku:cp2k|cp2k-2.4.0]] | + | * [[doku: |
- | *[[doku:desmond|desmond]] | + | * [[fft|fft libraries]] |
- | *[[doku:flash| | + | |
- | *[[fft|fft libraries]] | + | |
* [[http:// | * [[http:// | ||
* [[http:// | * [[http:// | ||
- | *[[doku:gaussian09|Gaussian09]] | + | * [[doku: |
* [[http:// | * [[http:// | ||
- | * [[doku:gromacs|GROMACS]] | + | * [[doku: |
+ | * [[doku: | ||
* [[http:// | * [[http:// | ||
- | *[[doku: | + | * [[doku: |
* [[http:// | * [[http:// | ||
- | *[[doku: | + | * [[doku: |
- | * [[mpi-helium|MPI-Helium]] | + | * [[MPI-Helium]] |
- | *[[doku:nag|NAG]] | + | * [[doku: |
- | *[[nwchem-vsc2|NWChem]] | + | * [[nwchem-vsc2|NWChem]] |
* [[http:// | * [[http:// | ||
- | *[[doku: | + | |
- | *[[doku: | + | |
+ | * [[doku: | ||
* [[http:// | * [[http:// | ||
- | *[[doku: | + | * [[doku: |
- | *[[doku:stacks|STACKS]] | + | * [[doku: |
* [[http:// | * [[http:// | ||
- | *[[doku:telemac|Telemac]] | + | * [[doku: |
- | * [[doku:vasp|VASP]] | + | * [[doku:molecular_dynamics|VASP]] |
- | * [[wien2k|WIEN2k]] | + | * [[WIEN2k]] |
* [[wrf|WRFV3]] | * [[wrf|WRFV3]] | ||