LAMMPS Files

This is the second update to the 22 July 2025 stable release that fixes bugs that have been reported since its release and backported from the development version.

The following individual changes are included:

• make LAMMPS-GUI compatible with Qt-5.12 for building pre-compiled packages on Ubuntu 20.04LTS
• backport multiple LAMMPS-GUI bugfixes from upstream and step version to 1.7.2
• make CMake script code for generating headers with OpenCL kernels compatible with pathnames containing blanks
• fix off-by-one error when reporting multi-cutoff status
• fix bugs when reading angle, dihedrals, and impropers into a molecule template from JSON file
• improve confusing error message from read_dump during rerun
• error out when read_dump tries to create an atom with an out-of-range type
• fix bug in dump style extxyz that would prevent it from working with multiple MPI processes
• fix STORE/ATOM and STORE/GLOBAL ignore groups and thus are compatible with dynamic groups
• Fix incompatibilities with CUDA 13 runtime API in Kokkos lib (cherry-picked from upstream Kokkos, see https://github.com/kokkos/kokkos/pull/8328)
• Fix bug in KOKKOS pair settings, where nargs was hardcoded to 1, which could mess up the cutoff distance if independent cutoffs were set for LJ and Coulomb
• fix incorrect use of address-of for 2d-arrays in AtomVecDielectric, AtomVecDipole, and AtomVecSpin. Only happens with general triclinic...
• reset eval_in_progress status when recreating variables
• fix data initialization indexing bug when overwriting internal style variables
• backport refactor from PR [#4731] which includes a bugfix to add gravity during setup().
• backport of exchange communication buffer bugfix from PR [#4749]
• backport of bugfixes for RHEO, GRANULAR, and other packages from PR [#4729] and PR [#4766]
• backport fixes for the GPU package from PR [#4764]
• don't provide bounding box information for variable shape or dynamic regions
• run some automated tests using GitHub runners also on "maintenance" branch
• Fix bug in fix langevin/kk
• Prevent race condition with Kokkos reverse comm and GPU-aware MPI

Full Changelog: https://github.com/lammps/lammps/compare/stable_22Jul2025_update1...stable_22Jul2025_update2

Information on the files attached to this release:

• lammps-src-22Jul2025_update2.tar.gz - LAMMPS source code with translated manual in HTML and PDF format included
• lammps-linux-x86_64-22Jul2025_update2.tar.gz - Fully static LAMMPS binaries for all Linux machines with x86_64 CPUs
• The following packages contain LAMMPS 22Jul2025_update2 and LAMMPS-GUI v1.7.2 pre-compiled in different packaging formats
• LAMMPS-Linux-x86_64-GUI-22Jul2025_update2.tar.gz - Binaries with required libraries included using wrapper scripts. Compatible with Ubuntu 20.04LTS or later and equivalent Linux distributions
• LAMMPS-Linux-x86_64-GUI-22Jul2025_update2.flatpak - Linux binaries in flatpak bundle format and desktop integration
• LAMMPS-macOS-multiarch-GUI-22Jul2025_update2.dmg - DMG installer for macOS version 11 (Big Sur) or later. Includes support for Intel and Apple CPUs
• LAMMPS-Win10-64bit-GUI-22Jul2025_update2.exe - Installer package for 64-bit x86 Windows 10 or later (may work on older Windows versions)

If you are looking for a pre-compiled LAMMPS-GUI version that can load a custom compiled LAMMPS shared library please go to the LAMMPS-GUI release page. LAMMPS-GUI versions 1.8.0 to 1.8.3 are not compatible with this release, but versions 1.8.4 and later are.