LAMMPS 23Jun2022-foss-2021b-kokkos-CUDA-11.4.1

Deprecated: Use of this version of LAMMPS is deprecated. More information on our Applications Support and Retention Policy.

There is a newer version of LAMMPS

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

Accessing LAMMPS 23Jun2022-foss-2021b-kokkos-CUDA-11.4.1

To load the module for LAMMPS 23Jun2022-foss-2021b-kokkos-CUDA-11.4.1 please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):

module load LAMMPS/23Jun2022-foss-2021b-kokkos-CUDA-11.4.1

BEAR Apps Version

2018b

More Information

For more information visit the LAMMPS website.

Dependencies

This version of LAMMPS has a direct dependency on: CUDA/11.4.1 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 NCCL/2.10.3-GCCcore-11.2.0-CUDA-11.4.1 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 UCX-CUDA/1.11.2-GCCcore-11.2.0-CUDA-11.4.1 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, BEARCloud VMs, and CaStLeS VMs). These will be retained in accordance with our Applications Support and Retention Policy.

Last modified on 24th November 2022