Difference between revisions of "JUSTUS2/Software"

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* [[JUSTUS2/Software/NAMD|NAMD]]
 
* [[JUSTUS2/Software/NAMD|NAMD]]
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* [[JUSTUS2/Software/Orca|Orca]]
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* [[JUSTUS2/Software/Quantum ESPRESSO|Quantum ESPRESSO]]
   
 
* [[JUSTUS2/Software/SIESTA|SIESTA]]
 
* [[JUSTUS2/Software/SIESTA|SIESTA]]

Revision as of 17:20, 29 February 2024

1 Environment Modules

Most software is provided as Modules.

Required reading to use: Environment Modules

2 Available Software

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

3 Documentation

3.1 Main Documentation on The Cluster

Documentation for environment modules available on the cluster:

  • with command module help
  • examples in $SOFTNAME_EXA_DIR

3.2 Sometimes Additional Documentation in the Wiki

For some environment modules additional documentation is provided here.