JUSTUS2/Software: Difference between revisions

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Required reading to use: [[Environment Modules]]
Required reading to use: [[Environment Modules]]

== Available Software ==

* Web: Visit [https://www.bwhpc.de/software.php https://www.bwhpc.de/software.php], select <code>Cluster → bwForCluster JUSTUS2</code>

* On the cluster: <code>module avail</code>[[Environment_Modules#module_help|(→module avail)]]

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


== Documentation ==
== Documentation ==
=== Main Documentation on The Cluster ===
Documentation by the cluster operators:
Documentation for environment modules available on the cluster (shown for a chemistry software called "softname"):
* the <code>module help</code> of software modules
** Read: [[Environment_Modules#module_help]]
* examples in $SOFTNAME_EXA_DIR (replace SOFTNAME with name of the software)
** Read: [[Environment_Modules#Software_job_examples]]
* this wiki


* with command <code>module help chem/softname</code> [[Environment_Modules#module_help|(→module help)]]
== Documentation in the Wiki ==
* examples in <code>$SOFTNAME_EXA_DIR</code> [[Environment_Modules#Software_job_examples|(→job examples)]]
Modules with additional documentation here in the wiki:


=== Sometimes Additional Documentation in the Wiki ===
For some environment modules additional documentation is provided here.
<!-- this list could be generated via {{Special:PrefixIndex/JUSTUS2/Software/|stripprefix=yes}}
but then these Pages become orphaned if there is no other link to them
-->
* [[JUSTUS2/Software/ADF|ADF]]
* [[JUSTUS2/Software/ADF|ADF]]


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

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

* [[JUSTUS2/Software/Orca|Orca]]

* [[JUSTUS2/Software/Quantum ESPRESSO|Quantum ESPRESSO]]

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


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

* [[JUSTUS2/Software/Turbomole|Turbomole]]


* [[JUSTUS2/Software/VASP|VASP]]
* [[JUSTUS2/Software/VASP|VASP]]

Latest revision as of 17:31, 29 February 2024

Environment Modules

Most software is provided as Modules.

Required reading to use: Environment Modules

Available Software

  • Software in Containers :Instructions for loading software in containers: Singularity

Documentation

Main Documentation on The Cluster

Documentation for environment modules available on the cluster (shown for a chemistry software called "softname"):

Sometimes Additional Documentation in the Wiki

For some environment modules additional documentation is provided here.