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
  • KTH Royal Institute of Technology
    GROMACS
    Container
    KTH Royal Institute of Technology
    GROMACS

    GROMACS is a popular molecular dynamics application used to simulate proteins and lipids.

  • LayerLabelCreated
    sha256:048a20373e6a628d6e15426baa26ca5a3de75a9e900dd558219fe566e9010bd4RUN
    apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends libgfortran5 libnvtoolsext1 libomp5 time &&
  rm -rf /var/lib/apt/lists/*
    		08/08/2023 9:27 PM UTC
    sha256:8ae5be43dec567a5e2005238d04605dd19c1338fc3c4a5dfcecd6e9b542442b8RUN
    apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends ansifilter libgfortran5 &&
  rm -rf /var/lib/apt/lists/*
    		08/08/2023 9:27 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
    ["/usr/bin/nventry" "-build_base_dir=/usr/local/gromacs" "-build_default=avx2_256"]
    		08/08/2023 9:27 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    LANG=en_US.UTF-8 LC_CTYPE=C PATH=/usr/local/gromacs/bin:/usr/local/nvidia/bin:/usr/local/cuda/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin
    		08/08/2023 9:27 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
    ["/usr/bin/nventry" "-try_lazy_loading"]
    		08/08/2023 9:27 PM UTC
    sha256:4c318556380671b3cc3f9f69fae74b296044512ffde54e680554f83415a173ceCOPY
    file:228bcd2fab359acddc8f16d0370da826d9c9400a0a6b45267b8e8f75c8af2ae8 in /usr/bin/nventry
    		08/08/2023 9:27 PM UTC
    sha256:2f83016ac8f7d7f38ae4d623e73e989f734aebe7834645058086b54aa601590dRUN
    ldconfig
    		08/08/2023 9:27 PM UTC
    sha256:d327901d02059561a616810d60a83a7e63bc8334c7b72ffa745d8b55f0cd6c76RUN
    mkdir /host_pwd
    		08/08/2023 9:27 PM UTC
    sha256:5406cb76cb55bf905e1b32cf33345d2a5c8e8e8a50ee1eb40c0f44b7bdd3a1f9COPY
    multi:adb499b1c38aa917fb0ca93b544c1fec10475f21434475f673c1537a43f88613 in /usr/src/
    		08/08/2023 9:27 PM UTC
    sha256:5d4bd78af18af25ce049c1d87b8914fe560e56e841bc95dfe7599c10804db654RUN
    ldconfig
    		08/08/2023 9:27 PM UTC