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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 [ | 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>[[ | 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 [[ | For more information on Environment Modules, please refer to the [[Using modules]] page. | ||
== Scripts for running LAMMPS == | == Scripts for running LAMMPS == |