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doku:software [2017/09/08 09:25] – [Documentation] ir | doku:software [2023/02/17 18:04] – msiegel | ||
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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 < | + | * Gaussian |
- | Please, | + | * VASP |
- | ==== VSC-2 ==== | + | * Wien2k |
+ | the user has to be **member** of the respective user group. | ||
+ | Please, [[doku: | ||
- | When logged in on VSC-2, currently installed **software** and available **libraries** can be listed by | ||
- | < | ||
- | [username@l21 ~]$ ls /opt/ # and | ||
- | [username@l21 ~]$ ls /opt/sw/ | ||
- | </ | ||
- | ==== VSC-3 ==== | ||
- | |||
- | In order to set environment variables needed for a specific application, | ||
- | < | ||
- | [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: == | ||
- | |||
- | - **< | ||
- | - 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: | ||
+ | * [[doku: | ||
+ | * [[doku: | ||
+ | * [[doku: | ||
+ | * [[doku: | ||
+ | * [[doku: | ||
+ | * [[doku: | ||
+ | * [[doku: | ||
+ | * [[fft|fft libraries]] | ||
* [[http:// | * [[http:// | ||
* [[http:// | * [[http:// | ||
+ | * [[doku: | ||
* [[http:// | * [[http:// | ||
+ | * [[doku: | ||
* [[http:// | * [[http:// | ||
+ | * [[doku: | ||
* [[http:// | * [[http:// | ||
+ | * [[doku: | ||
+ | * [[MPI-Helium]] | ||
+ | * [[doku: | ||
+ | * [[nwchem-vsc2|NWChem]] | ||
* [[http:// | * [[http:// | ||
+ | * [[doku: | ||
+ | * [[doku: | ||
* [[http:// | * [[http:// | ||
+ | * [[doku: | ||
+ | * [[doku: | ||
* [[http:// | * [[http:// | ||
- | * [[doku:vasp-vsc2|VASP on VSC-2]] | + | * [[doku:Telemac]] |
- | + | * [[doku:VASP]] | |
- | + | * [[WIEN2k]] | |
- | *[[doku:abaqus6|Abaqus 6]] | + | * [[wrf|WRFV3]] |
- | *[[doku: | + | |
- | *[[doku:blas|BLAS libraries]] | + | |
- | *[[doku: | + | |
- | *[[doku: | + | |
- | *[[doku: | + | |
- | *[[doku: | + | |
- | *[[doku: | + | |
- | *[[doku: | + | |
- | *[[doku: | + | |
- | *[[doku: | + | |
- | *[[doku: | + | |
- | *[[doku: | + | |
- | *[[doku: | + | |
- | *[[doku: | + | |
- | *[[doku: | + | |