JUSTUS2/Software: Difference between revisions

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== Available Software ==
== Available Software ==
⚫
Visit [https://www.bwhpc.de/software.php https://www.bwhpc.de/software.php], select <code>Cluster → bwForCluster JUSTUS2</code>


⚫
* Web: Visit [https://www.bwhpc.de/software.php https://www.bwhpc.de/software.php], select <code>Cluster → bwForCluster JUSTUS2</code>
⚫
On cluster: <code>module avail</code>
== Software in Containers ==


⚫
* On the cluster: <code>module avail</code>
⚫
Instructions for loading software in containers: [[Singularity]]

⚫
* Software in Containers :Instructions for loading software in containers: [[JUSTUS2/Software/Singularity|Singularity]]


== Documentation ==
== Documentation ==
Documentation by the cluster operators:
Documentation for environment modules available on the cluster:

* with command <code>module help</code>
* examples in <code>$SOFTNAME_EXA_DIR</code>
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== Documentation in the Wiki ==
== Documentation in the Wiki ==
Modules with additional documentation here in the wiki:
For some environment modules additional documentation is provided here.
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* [[ADF]]
* [[JUSTUS2/Software/ADF|ADF]]


* [[JUSTUS2/Software/Dalton|Dalton]]
* [[JUSTUS2/Software/Dalton|Dalton]]


* [[Gaussian]]
* [[JUSTUS2/Software/Gaussian|Gaussian]]


* [[Gaussview]]
* [[JUSTUS2/Software/Gaussview|Gaussview]]


* [[JUSTUS2/Software/Molden|Molden]]
* [[JUSTUS2/Software/Molden|Molden]]

* [[JUSTUS2/Software/NAMD|NAMD]]

* [[JUSTUS2/Software/SIESTA|SIESTA]]


* [[JUSTUS2/Software/Schrodinger|Schrodinger]]
* [[JUSTUS2/Software/Schrodinger|Schrodinger]]

Revision as of 11:03, 4 July 2023

Environment Modules

Most software is provided as Modules.

Required reading to use: Environment Modules

Available Software

  • On the cluster: module avail
  • Software in Containers :Instructions for loading software in containers: Singularity

Documentation

Documentation for environment modules available on the cluster:

  • with command module help
  • examples in $SOFTNAME_EXA_DIR

Documentation in the Wiki

For some environment modules additional documentation is provided here.

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