LAMMPS 22Jul2025 Update 3 installed | Research Center for Computational Science

LAMMPS 22Jul2025 Update 3 was installed.

CPU (GCC, Intel) and GPU (CUDA) versions were installed. Sample jobs can be found in the following directories.

CPU(GCC) version: /apl/lammps/2025-Jul22-u3/samples
CPU(Intel) version: /apl/lammps/2025-Jul22-u3-intel/samples
GPU(CUDA) version: /apl/lammps/2025-Jul22-u3-CUDA/samples

Installation details are described in the following pages. The GPU version is failing more tests in comparison with the case of previous installation (Update 1). Significant changes may have been introduced after the Update 1 release. Please be aware of this if you are planning to use the GPU version.

CPU(GCC) version: https://ccportal.ims.ac.jp/en/node/3945
CPU(Intel) version: https://ccportal.ims.ac.jp/en/node/3946
GPU(CUDA) version: https://ccportal.ims.ac.jp/en/node/3947