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— | doku:software [2017/09/08 10:27] – [Documentation] ir | ||
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+ | ====== Currently installed software ====== | ||
+ | < | ||
+ | In order to use one of the following applications, | ||
+ | * < | ||
+ | the user has to be < | ||
+ | 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 ==== | ||
+ | |||
+ | 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): | ||
+ | |||
+ | |||
+ | |||
+ | *[[doku: | ||
+ | *[[doku: | ||
+ | *[[doku: | ||
+ | *[[doku: | ||
+ | *[[doku: | ||
+ | *[[doku: | ||
+ | *[[doku: | ||
+ | *[[fft|fft libraries]] | ||
+ | * [[http:// | ||
+ | * [[http:// | ||
+ | *[[doku: | ||
+ | * [[http:// | ||
+ | * [[http:// | ||
+ | *[[doku: | ||
+ | * [[http:// | ||
+ | *[[doku: | ||
+ | * [[mpi-helium-vsc2|MPI-Helium]] | ||
+ | *[[doku: | ||
+ | *[[nwchem-vsc2|NWChem]] | ||
+ | * [[http:// | ||
+ | *[[doku: | ||
+ | *[[doku: | ||
+ | * [[http:// | ||
+ | *[[doku: | ||
+ | *[[doku: | ||
+ | * [[http:// | ||
+ | *[[doku: | ||
+ | * [[doku: | ||
+ | * [[wien2k-vsc2|WIEN2k]] | ||
+ | * [[wrf-vsc2|WRFV3]] | ||
+ | |||
+ | === Remarks === | ||
+ | |||
+ | * [[doku: | ||
+ | |||
+ | === Recommendations === | ||
+ | |||
+ | * [[sequential-codes|Single core jobs]] | ||
+ | * [[large]] jobs with more than 1024 cores | ||
+ | * [[doku: | ||
+ | * user defined [[prolog|prolog and epilog]] scripts |