Building and Installing LAMMPS Pre-compiled Packages for Windows

The LAMMPS molecular dynamics simulation package is commonly installed, customized, and compiled by its users from source code. The sources can be downloaded either 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 with compiling applications from source code, and the not have the necessary tools installed. Furthermore, Windows applications are usually bundled using an installer/uninstaller tool to manage the deployment of the precompiled binaries and associated files.

The purpose of this web page is to provide access to full 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 yet ported to Windows) and legally possible with the restrictions on some of the licenses for add-on libraries.

The second part of this web page 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.

Downloading, Installing, and Using Pre-compiled LAMMPS Packages

Installer packages for 64-bit Windows

These packages are executables containing a Nullsoft scriptable installer for Windows versions from Windows 7 to Windows 11 (theoretically, due to limited time and hardware access, currently only Windows 10 and Windows 11 with all updates included are tested). The packages are available for 64-bit Windows systems, with and without support for MS-MPI, with or without the LAMMPS GUI, and with or without support for the PYTHON package, i.e. the option to call Python from LAMMMPS, (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 inputs, 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 tool chain as bundled with Fedora Linux.

Last modified: Fri Aug 4 05:12:41 UTC 2023 by akohlmey