ContainersNVIDIADeepSeek-R1NVIDIALlama-3.1-Nemotron-70B-InstructNVIDIAPyTorch
CollectionsNVIDIAOmniverse Kit (FB)NVIDIADeepStream SDKNVIDIAOmniverse Kit App Streaming
ModelsNVIDIAStyleGAN3 pretrained modelsNVIDIAPeopleNetNVIDIATrafficCamNet
ResourcesNVIDIARiva Skills Quick Start
Helm ChartsNVIDIAGPU OperatorNVIDIANVIDIA NIM Operator
Sandia National Lab
LAMMPS
Container
Sandia National Lab
LAMMPS

Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is a software application designed for molecular dynamics simulations.

LayerLabelCreated
sha256:7987b29d7886715a889f93813eb763e8eaa1105cf9a96ed0f754e89cdf0ae397RUN
pip install --upgrade "protobuf>=5.29.5, <6.0.0" &&
  pip install --upgrade "pillow>=11.3.0"
10/17/2025 7:12 PM UTC
sha256:1b9c6186d8f9d617465305e52e40f92883b04be2dbadc229c9a30ee602966df3RUN
tar --no-same-owner -xzf /workspace/HIPPYNN_example/HIPPYNN_example.tar.gz -C /workspace/HIPPYNN_example/ &&
  tar --no-same-owner -xf /workspace/MACE_sample/MACE_sample.tar -C /workspace/MACE_sample/ &&
  tar --no-same-owner -xf /workspace/tutorial.tar -C /workspace/
10/17/2025 7:12 PM UTC
sha256:85e06864289ceb7fc28b8634d68dc024cc8ed7d3ac40e7cd0e256adace5a4dc7COPY
file:43435e42b520451404b771d1388061b359d30bb2e727b4e4bef17f903d9d060f in /workspace/tutorial.tar
10/17/2025 7:12 PM UTC
sha256:5cc413a41f80a9ebd71b46d47a2942251bc7d7cfce06dfcbf7263a74ab7a8a6cCOPY
file:da8fb33d4387657d9dfe8992a5f907e9a19254b5a306e824e96054b9a01c7726 in /workspace/MACE_sample/MACE_sample.tar
10/17/2025 7:12 PM UTC
sha256:dc8d507d564535a5d2b3f5023b8c92604b94e57392bbd445194c24b1d1b5a209COPY
file:e299861b0dcc3b2b29b68fca71a9a9d74716b9c9a50ba3e1dd784987a2b138de in /workspace/HIPPYNN_example/HIPPYNN_example.tar.gz
10/17/2025 7:12 PM UTC
sha256:5610c89aa87643b32dab3f34b0b3f9950a55727530e7e37d9ab2eb42d353bcb6RUN
pip install --upgrade jupyterlab &&
  pip install --upgrade notebook
10/17/2025 7:11 PM UTC
sha256:93f585fc05de222851ff0cbc2f7f82b8efd1fba6ae2b9bf29a5ad40ae2604c13RUN
apt-get update &&
  apt-get upgrade -yqq
10/17/2025 7:11 PM UTC
sha256:7e84a0e48eae9f1e51a8c05fe4214d40f9dde154bd87b25fd8c6419440d85b56RUN
mkdir -p /var/tmp &&
  cd /var/tmp &&
  git clone --depth 1 https://github.com/lammps/lammps.git
10/17/2025 7:07 PM UTC
sha256:39dc145393295e659b7bca5ff22ad86cc4a16eb8a5b7e0b0522a6160f947c9a6RUN
ldconfig
10/17/2025 7:07 PM UTC
sha256:c02dd10d336b5e6bc67e0b65c4cdefd28011ed62a57b303f184c9867623daa88RUN
apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends hwloc libgomp1 &&
  rm -rf /var/lib/apt/lists/*
10/17/2025 7:06 PM UTC
...

NVIDIA uses cookies to improve your experience on our web site. We and our third-party partners also use cookies and other tools to collect and record information you provide as well as information about your interactions with our websites for performance improvement, analytics, and to assist in marketing efforts. By clicking "Accept All", you consent to our use of cookies and other tools as described in our Cookie Policy. You can manage your cookie settings by clicking on "Manage Settings." By continuing to use this site or by clicking one of the buttons below, you agree to our Terms of Service (which contains important waivers). Please see our Privacy Policy for more information on our privacy practices.