JUSTUS2/Software: Difference between revisions
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== |
== Environment Modules == |
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Most software is provided as Modules. |
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Documentation by the cluster operators is mainly provided in three forms: |
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| ⚫ | |||
* examples in $SOFTNAME_EXA_DIR (replace SOFTNAME with name of the software) |
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| ⚫ | |||
Required reading |
Required reading to use: [[Environment Modules]] |
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* [[Environment Modules]] |
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== Available Software == |
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| ⚫ | |||
Modules with additional documentation here in the wiki: |
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* Web: Visit [https://www.bwhpc.de/software.php https://www.bwhpc.de/software.php], select <code>Cluster → bwForCluster JUSTUS2</code> |
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* On the cluster: <code>module avail</code> |
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* Software in Containers :Instructions for loading software in containers: [[JUSTUS2/Software/Singularity|Singularity]] |
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== Documentation == |
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Documentation for environment modules available on the cluster: |
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| ⚫ | |||
* examples in <code>$SOFTNAME_EXA_DIR</code> |
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<!-- |
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{| style="width:100%;" |
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|- style="background:#eeeeee;" | |
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| <code>module help</code> || See section: [[Environment_Modules#module_help]] |
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|- style="background:#dddddd; " | |
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| examples in <code>$SOFTNAME_EXA_DIR</code> || See section: [[Environment_Modules#Software_job_examples]] |
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|- style="background:#eeeeee; " | |
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| ⚫ | |||
|} |
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--> |
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| ⚫ | |||
For some environment modules additional documentation is provided here. |
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<!-- this list could be generated via {{Special:PrefixIndex/JUSTUS2/Software/|stripprefix=yes}} |
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but then these Pages become orphaned if there is no other link to them |
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--> |
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* [[JUSTUS2/Software/ADF|ADF]] |
* [[JUSTUS2/Software/ADF|ADF]] |
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* [[JUSTUS2/Software/Molden|Molden]] |
* [[JUSTUS2/Software/Molden|Molden]] |
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* [[JUSTUS2/Software/NAMD|NAMD]] |
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* [[JUSTUS2/Software/SIESTA|SIESTA]] |
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* [[JUSTUS2/Software/Schrodinger|Schrodinger]] |
* [[JUSTUS2/Software/Schrodinger|Schrodinger]] |
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* [[JUSTUS2/Software/Turbomole|Turbomole]] |
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* [[JUSTUS2/Software/VASP|VASP]] |
* [[JUSTUS2/Software/VASP|VASP]] |
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Revision as of 11:03, 4 July 2023
Environment Modules
Most software is provided as Modules.
Required reading to use: Environment Modules
Available Software
- Web: Visit https://www.bwhpc.de/software.php, select
Cluster → bwForCluster JUSTUS2
- 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.