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doku:software [2017/09/08 10:27] – [Documentation] ir | doku:software [2022/06/23 09:07] – added gromacs 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 38: | Line 31: | ||
*[[doku: | *[[doku: | ||
- | *[[doku: | + | *[[doku: |
*[[doku: | *[[doku: | ||
*[[doku: | *[[doku: | ||
Line 49: | Line 42: | ||
*[[doku: | *[[doku: | ||
* [[http:// | * [[http:// | ||
+ | * [[doku: | ||
* [[http:// | * [[http:// | ||
*[[doku: | *[[doku: | ||
* [[http:// | * [[http:// | ||
*[[doku: | *[[doku: | ||
- | * [[mpi-helium-vsc2|MPI-Helium]] | + | * [[mpi-helium|MPI-Helium]] |
*[[doku: | *[[doku: | ||
*[[nwchem-vsc2|NWChem]] | *[[nwchem-vsc2|NWChem]] | ||
Line 65: | Line 59: | ||
*[[doku: | *[[doku: | ||
* [[doku: | * [[doku: | ||
- | * [[wien2k-vsc2|WIEN2k]] | + | * [[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 |