Difference between revisions of "JUSTUS2/Software"

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

Revision as of 20:13, 23 November 2022

1 Environment Modules

Most software is provided as Modules.

Required reading to use: Environment Modules

2 Available Software

  • On the cluster: module avail

3 Software in Containers

Instructions for loading software in containers: Singularity

4 Documentation

Documentation for environment modules available on the cluster:

  • with command module help
  • examples in $SOFTNAME_EXA_DIR

5 Documentation in the Wiki

For some environment modules additional documentation is provided here.