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doku:software [2017/09/08 10:27] – [Documentation] ir | doku:software [2022/06/23 13:38] – [Documentation] msiegel | ||
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the user has to be < | the user has to be < | ||
Please, __**[[doku: | Please, __**[[doku: | ||
- | ==== VSC-2 ==== | ||
- | |||
- | 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 ==== | ==== VSC-3 ==== | ||
Line 33: | Line 26: | ||
==== Documentation ==== | ==== Documentation ==== | ||
+ | |||
Documentation of the following software is available (list incomplete): | Documentation of the following software is available (list incomplete): | ||
- | + | | |
- | + | * [[doku:AMBER]] | |
- | | + | * [[doku:ANTARES]] |
- | *[[doku:antares-vsc2|ANTARES]] | + | * [[doku: |
- | *[[doku: | + | * [[doku: |
- | *[[doku: | + | * [[doku: |
- | *[[doku: | + | * [[doku: |
- | *[[doku:desmond|desmond]] | + | * [[doku: |
- | *[[doku:flash| | + | * [[fft|fft libraries]] |
- | *[[fft|fft libraries]] | + | |
* [[http:// | * [[http:// | ||
* [[http:// | * [[http:// | ||
- | *[[doku:gaussian09|Gaussian09]] | + | * [[doku: |
* [[http:// | * [[http:// | ||
+ | * [[doku: | ||
* [[http:// | * [[http:// | ||
- | *[[doku: | + | * [[doku: |
* [[http:// | * [[http:// | ||
- | *[[doku: | + | * [[doku: |
- | * [[mpi-helium-vsc2|MPI-Helium]] | + | * [[MPI-Helium]] |
- | *[[doku:nag|NAG]] | + | * [[doku: |
- | *[[nwchem-vsc2|NWChem]] | + | * [[nwchem-vsc2|NWChem]] |
* [[http:// | * [[http:// | ||
- | *[[doku: | + | * [[doku: |
- | *[[doku: | + | * [[doku: |
* [[http:// | * [[http:// | ||
- | *[[doku: | + | * [[doku: |
- | *[[doku:stacks|STACKS]] | + | * [[doku: |
* [[http:// | * [[http:// | ||
- | *[[doku:telemac|Telemac]] | + | * [[doku: |
- | * [[doku:vasp-vsc2|VASP]] | + | * [[doku: |
- | * [[wien2k-vsc2|WIEN2k]] | + | * [[WIEN2k]] |
- | * [[wrf-vsc2|WRFV3]] | + | * [[wrf|WRFV3]] |
- | + | ||
- | === Remarks === | + | |
- | + | ||
- | * [[doku: | + | |
- | + | ||
- | === Recommendations === | + | |
- | * [[sequential-codes|Single core jobs]] | ||
- | * [[large]] jobs with more than 1024 cores | ||
- | * [[doku: | ||
- | * user defined [[prolog|prolog and epilog]] scripts |