LAMMPS 23Jun2022-foss-2021b-kokkos

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

Accessing LAMMPS 23Jun2022-foss-2021b-kokkos

To load the module for LAMMPS 23Jun2022-foss-2021b-kokkos please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2021b
module load LAMMPS/23Jun2022-foss-2021b-kokkos

BEAR Apps Version

2021b

Architectures

EL8-cascadelake — EL8-icelake — EL8-sapphirerapids

The listed architectures consist of two part: 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/7.78.0-GCCcore-11.2.0 Eigen/3.4.0-GCCcore-11.2.0 FFmpeg/4.3.2-GCCcore-11.2.0 foss/2021b GSL/2.7-GCC-11.2.0 gzip/1.10-GCCcore-11.2.0 HDF5/1.12.1-gompi-2021b kim-api/2.3.0-GCCcore-11.2.0 libjpeg-turbo/2.0.6-GCCcore-11.2.0 libpng/1.6.37-GCCcore-11.2.0 libxml2/2.9.10-GCCcore-11.2.0 netCDF/4.8.1-gompi-2021b PCRE/8.45-GCCcore-11.2.0 PLUMED/2.7.3-foss-2021b Python/3.9.6-GCCcore-11.2.0 ScaFaCoS/1.0.1-foss-2021b SciPy-bundle/2021.10-foss-2021b tbb/2020.3-GCCcore-11.2.0 Voro++/0.4.6-GCCcore-11.2.0 VTK/9.1.0-foss-2021b zlib/1.2.11-GCCcore-11.2.0

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 24th November 2022