LAMMPS 29Aug2024_update2-foss-2023a-kokkos

LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.

Accessing LAMMPS 29Aug2024_update2-foss-2023a-kokkos

To load the module for LAMMPS 29Aug2024_update2-foss-2023a-kokkos please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2023a
module load LAMMPS/29Aug2024_update2-foss-2023a-kokkos

BEAR Apps Version

2023a

Architectures

EL8-icelake — EL8-sapphirerapids

The listed architectures consist of two parts: OS-CPU. The OS used is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.

More Information

For more information visit the LAMMPS website.

Dependencies

This version of LAMMPS has a direct dependency on: cURL/8.0.1-GCCcore-12.3.0 Eigen/3.4.0-GCCcore-12.3.0 FFmpeg/6.0-GCCcore-12.3.0 foss/2023a GSL/2.7-GCC-12.3.0 gzip/1.12-GCCcore-12.3.0 HDF5/1.14.0-gompi-2023a kim-api/2.3.0-GCC-12.3.0 libjpeg-turbo/2.1.5.1-GCCcore-12.3.0 libpng/1.6.39-GCCcore-12.3.0 libxml2/2.11.4-GCCcore-12.3.0 MDI/1.4.26-gompi-2023a netCDF/4.9.2-gompi-2023a PCRE/8.45-GCCcore-12.3.0 PLUMED/2.9.0-foss-2023a Python/3.11.3-GCCcore-12.3.0 ScaFaCoS/1.0.4-foss-2023a SciPy-bundle/2023.07-gfbf-2023a tbb/2021.11.0-GCCcore-12.3.0 Voro++/0.4.6-GCCcore-12.3.0 VTK/9.3.0-foss-2023a zlib/1.2.13-GCCcore-12.3.0

Other Versions

These versions of LAMMPS are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.

Last modified on 9th April 2025