Building and Installing LAMMPS Precompiled Packages for Windows

The LAMMPS molecular dynamics simulation package is commonly installed, customized, and compiled by its users from source code, which can be obtained from its home page as tar archives or from its GitHub project page as snapshot zip archive or git repository clone.

However, few people using Windows are familiar compiling applications from source code and have the necessary tools installed. Furthermore Windows applications are usually bundled with an installer/uninstaller tool to manage the deployment of the precompiled binaries and associated files or can be installed from the Microsoft Store.

For quick testing and simple calculations, there is is a package with a LAMMPS executable and the LAMMPS shell available through the Microsoft Store. This only consists of a serial executable with OpenMP and OpenCL support, is set up for use with Windows 10 and does not contain examples, documentation, or potential files.

The purpose of this webpage is to provide access to fully featured LAMMPS packages for Windows that have been built by the LAMMPS developers and contain as complete a set of features as technically meaningful (not all code is ported to Windows) and legally possible with the restrictions on some of the licenses for add-on libraries.

The second part of this webpage documents the custom tools and scripts used in the process of building these packages, so that interested people can go about and customize it or contribute solutions to known problems or suggest improved, alternate approaches for the procedures used.

Online Help for the LAMMPS Shell App

This page provides documentation and additional files to download for use with the LAMMPS Shell. The downloads are especially aimed at users that have installed LAMMPS on Windows 10 through the Microsoft Store, since those are lacking those files.

Downloading, Installing, and Using Pre-compiled LAMMPS Packages

Installer packages for 32-bit and 64-bit Windows

These packages are executables containing a Nullsoft scriptable installer for Windows versions from Windows XP (SP2) to Windows 10 (theoretically, due to limited time and access currently only Windows 10 is tested). The packages are available for 32-bit and 64-bit Windows systems, with and without support for MPI (a link for a compatible MPI library installer is provided) and with and without support for the PYTHON package (NOTE: the Python module, i.e. the option to import LAMMPS into Python scripts is always included). These packages also contain several PDF format files with the LAMMPS manual and associated documentation, most of the example inputs, bundled potential files, benchmark input and some tools.

Building binary LAMMPS packages

Building Windows Installer Packages with MinGW64 Cross-compilers on Fedora Linux

This page describes the tools used for and the process of building installer packages for Windows on Linux with the MinGW64 cross-compiler toolchain as bundled with Fedora Linux.

Last modified: Fri May 28 15:42:18 UTC 2021 by akohlmey