In this video I give a short introduction to the LAMMPS simulation package. I will explain how LAMMPS can help you to run your molecular dynamics simulations. The LAMMPS scripts return the molecular mechanics solution for some armchair and zigzag SWCNTs, while the Matlab scripts compute the numerical solution of a one-dimensional integro-differential tensile rod by B-spline finite elements. By using the proper set of nonlocal parameters, it is possible to correctly capture size and chirality.
Pre-compiled Windows installers which install LAMMPS executables on aWindows system can be downloaded from this site:
Note that each installer package has a date in its name, whichcorresponds to the LAMMPS version of the same date. Installers forcurrent and older versions of LAMMPS are available. 32-bit and 64-bitinstallers are available, and each installer contains both a serialand parallel executable. The installer site also explains how toinstall the Windows MPI package (MPICH2 from Argonne National Labs),needed to run in parallel.
The LAMMPS binaries contain all optional packages included in thesource distribution except: KIM, KOKKOS, USER-INTEL, and USER-QMMM.The serial version also does not include the MPIIO andUSER-LB packages. GPU support is provided for OpenCL.
The installer site also has instructions on how to run LAMMPS underWindows, once it is installed, in both serial and parallel.
Lammps Software
When you download the installer package, you run it on your Windowsmachine. It will then prompt you with a dialog, where you can choosethe installation directory, unpack and copy several executables,potential files, documentation pdfs, selected example files, etc. Itwill then update a few system settings (e.g. PATH, LAMMPS_POTENTIALS)and add an entry into the Start Menu (with references to thedocumentation, LAMMPS homepage and more). From that menu, there isalso a link to an uninstaller that removes the files and undoes theenvironment manipulations.
Lammps Mpi
Note that to update to a newer version of LAMMPS, you should typicallyuninstall the version you currently have, download a new installer,and go through the install procedure described above. I.e. the sameprocedure for installing/updating most Windows programs. You caninstall multiple versions of LAMMPS (in different directories), butonly the executable for the last-installed package will be foundautomatically, so this should only be done for debugging purposes.
Lammps Download Windows
Thanks to Axel Kohlmeyer (Temple U, akohlmey at gmail.com) for settingup this Windows capability.