LAMMPS: Difference between revisions

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→‎Modules: small fixes to Wiki markup (internal links)
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= Modules =
= Modules =


Several versions of [http://lammps.sandia.gov/ LAMMPS] were installed on cvmfs and accessible on Compute Canada systems through [https://docs.computecanada.ca/wiki/Utiliser_des_modules/en modules]. To find the modules, use:
Several versions of [http://lammps.sandia.gov/ LAMMPS] were installed on cvmfs and accessible on Compute Canada systems through [[Using modules|modules]]. To find the modules, use:
<code> module spider lammps</code> or <code>module -r spider '.*lammps.*'</code>  
<code> module spider lammps</code> or <code>module -r spider '.*lammps.*'</code>  


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* Version built with USER-INTEL support: <code>lammps-user-intel/20170331</code>
* Version built with USER-INTEL support: <code>lammps-user-intel/20170331</code>


These versions are also available with GPU support. In order to load the GPU enabled version of LAMMPS, the <code>[[https://docs.computecanada.ca/wiki/CUDA cuda]]</code> module needs to be loaded first before loading the LAMMPS module:
These versions are also available with GPU support. In order to load the GPU enabled version of LAMMPS, the <code>[[CUDA|cuda]]</code> module needs to be loaded first before loading the LAMMPS module:


  $ module load cuda
  $ module load cuda
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* Then, execute the command: <code>cat ${EBROOTLAMMPS}/list-packages.txt</code>  
* Then, execute the command: <code>cat ${EBROOTLAMMPS}/list-packages.txt</code>  


For more information on Environment Modules, please refer to the [[https://docs.computecanada.ca/wiki/Utiliser_des_modules/en Using modules]] page.
For more information on Environment Modules, please refer to the [[Using modules]] page.


== Scripts for running LAMMPS ==
== Scripts for running LAMMPS ==
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