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

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.