Skip to content

Latest commit

 

History

History
51 lines (32 loc) · 1.6 KB

INSTALLING.rst

File metadata and controls

51 lines (32 loc) · 1.6 KB
Raw

Installing binaries

MPI parallel builds

You must build HOOMD-blue from source to enable support for the native MPI and CUDA libraries on your HPC resource. You can use the glotzerlab-software repository to manage such builds as conda packages.

Serial CPU and single GPU builds

HOOMD-blue binaries for serial CPU and single GPU are available on conda-forge for the linux-64, osx-64, and osx-arm64 platforms. Install the hoomd package from the conda-forge channel:

micromamba install hoomd=4.9.1

By default, micromamba auto-detects whether your system has a GPU and attempts to install the appropriate package. Override this and force the GPU enabled package installation with:

export CONDA_OVERRIDE_CUDA="12.0"
micromamba install "hoomd=4.9.1=*gpu*" "cuda-version=12.0"

Similarly, you can force CPU-only package installation with:

micromamba install "hoomd=4.9.1=*cpu*"

Note

CUDA 11.8 compatible packages are also available. Replace "12.0" with "11.8" above when installing HOOMD-blue on systems with CUDA 11 compatible drivers.

Note

Run time compilation is no longer available on conda-forge builds starting with HOOMD-blue 4.7.0.