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  • 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
    sha256:4dd68d84563d157e889262672fce8278873a4e4947e03bae1dc9d35b08867c3aRUN
    ldconfig
    		05/09/2022 1:06 AM UTC
    sha256:c5f715a1cd2a2a4a6c50c817d02f71cd5973ac039b6b8a91e57b2fa7eb387babRUN
    apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends hwloc libgomp1 &&
  rm -rf /var/lib/apt/lists/*
    		05/09/2022 1:06 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
    ["/usr/bin/nventry" "--build_base_dir=/usr/local/lammps" "--build_default=gpu_native"]
    		05/09/2022 1:06 AM UTC
    sha256:3d5e33a295c1ff6d6faa126835b5cdb9f26d5711598fff22f158b2e6ac574998COPY
    file:b24c557a750ad68d818204b07988269fc237aa0a39c25edfe26d1bfb3bcc649b in /usr/bin/nventry
    		05/09/2022 1:06 AM UTC
    sha256:c7a6be00d29748da3815a436b61746d18b66f2dc6b920913f6a1acf035dd2adfRUN
    ldconfig
    		05/09/2022 1:06 AM UTC
    sha256:2f91aabe0084207144d7001eab82ba9df156a6056f4297c46849a07aab6c6767RUN
    apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends time &&
  rm -rf /var/lib/apt/lists/*
    		05/09/2022 1:06 AM UTC
    sha256:f4dbca069aee5cb220343baa20760835b784f2a1d9b744b9ba3c6784303df4a7WORKDIR
    /host_pwd
    		05/09/2022 1:05 AM UTC
    sha256:1c084559682aaedcdd739a72429d2af822f9c54f99f6c1253e45b2cdc42b3212COPY
    multi:b2c142f57e8a1386f8cbb339b1ac9ec06172b0f4c5aef3b5689bc2cbcff23c11 in /usr/src/
    		05/09/2022 1:05 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    UCX_MEMTYPE_CACHE=n
    		05/09/2022 1:05 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    OMPI_ALLOW_RUN_AS_ROOT=1 OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1 OMPI_MCA_rmaps_base_oversubscribe=1 PATH=/usr/local/openmpi/bin:/usr/local/ucx/bin:/usr/local/nvidia/bin:/usr/local/cuda/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin
    		05/09/2022 1:05 AM UTC