HOOMD-blue 4.4.1-foss-2023a-CUDA-12.1.1

HOOMD-blue is a general-purpose particle simulation toolkit, implementing molecular dynamics and hard particle Monte Carlo optimized for fast execution on both GPUs and CPUs.

Accessing HOOMD-blue 4.4.1-foss-2023a-CUDA-12.1.1

To load the module for HOOMD-blue 4.4.1-foss-2023a-CUDA-12.1.1 please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2023a
module load HOOMD-blue/4.4.1-foss-2023a-CUDA-12.1.1

There is a CPU version of this module: HOOMD-blue 4.4.1-foss-2023a

BEAR Apps Version

2023a

Architectures

EL8-icelake (GPUs: NVIDIA A100, NVIDIA A30)

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 HOOMD-blue website.

Dependencies

This version of HOOMD-blue has a direct dependency on: Cereal/1.3.2 CUDA/12.1.1 Eigen/3.4.0-GCCcore-12.3.0 foss/2023a Python/3.11.3-GCCcore-12.3.0 SciPy-bundle/2023.07-gfbf-2023a tbb/2021.11.0-GCCcore-12.3.0 UCX-CUDA/1.14.1-GCCcore-12.3.0-CUDA-12.1.1

Required By

This version of HOOMD-blue is a direct dependent of: Ambuild/2.0.0-foss-2023a-CUDA-12.1.1

Other Versions

These versions of HOOMD-blue 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 17th March 2025