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LAMMPS: Difference between revisions
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The version of each module gives the date of the release of each version in the format: YYYYMMDD. The name of the module contains an attribute depending on the accelerators included in the module. | The version of each module gives the date of the release of each version in the format: YYYYMMDD. The name of the module contains an attribute depending on the accelerators included in the module. | ||
For each release installed, one or more | For each release installed, one or more modules are are available. For example, the release of 31 March 2017 has 3 modules: | ||
* Version built with MPI: <code>lammps/20170331</code> | * Version built with MPI: <code>lammps/20170331</code> | ||
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The reason behind different versions for the same release is the difference in the packages included. The recent versions of [http://lammps.sandia.gov/ LAMMPS] contain about 60 different packages that can be enabled when compiling the program. All the [http://lammps.sandia.gov/doc/Section_packages.html packages] are documented on the official web page of [http://lammps.sandia.gov/ LAMMPS] . | The reason behind different versions for the same release is the difference in the packages included. The recent versions of [http://lammps.sandia.gov/ LAMMPS] contain about 60 different packages that can be enabled when compiling the program. All the [http://lammps.sandia.gov/doc/Section_packages.html packages] are documented on the official web page of [http://lammps.sandia.gov/ LAMMPS] . | ||
For each module installed on cvmfs, a file ''list-packages.txt '' is provided and gives | For each module installed on cvmfs, a file ''list-packages.txt '' is provided and gives a list of supported and non-supported packages for that particular module. The different versions for one release mentioned above come from the fact one can not put all available packages in one binary. If for some reason, your simulation does not work with one module, it is more likely related to the fact that the corresponding package was not included. | ||
To see or know more about the supported packages on a given module , do the following: | |||
* First load a particular module of LAMMPS (use <code>module -r spider '.*lammps.*'</code> to see how to load a particular module). | * First load a particular module of LAMMPS (use <code>module -r spider '.*lammps.*'</code> to see how to load a particular module). | ||
* Then, execute the command: <code>cat ${EBROOTLAMMPS}/list-packages.txt</code> | * Then, execute the command: <code>cat ${EBROOTLAMMPS}/list-packages.txt</code> | ||