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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:aa30813b956f001c595da4bdb0b686b36a4c55100151a41b6f020911025a6377RUN
    ldconfig
    		03/25/2021 8:30 PM UTC
    sha256:93442d1ec2e24d2b30eab49a737ca04c401a5a899b8581bbf89d1aee670813b0RUN
    apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends hwloc libgomp1 &&
  rm -rf /var/lib/apt/lists/*
    		03/25/2021 8:30 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
    ["/usr/bin/nventry" "-gpu_base_dir=/usr/local/lammps"]
    		03/25/2021 8:29 PM UTC
    sha256:303245d31d4d074db4d8a86db4879cecf3b6563fed777ecea4487cfc79f95a22COPY
    file:e5cbafbc0bdf1cb51dc0e6c5db47b3bf5e73d55c442bbee3d30da30028b61f3a in /usr/bin/nventry
    		03/25/2021 8:29 PM UTC
    sha256:3151e043f4f0c8aa7823e1fc9a45aece7f226abd6ee75be016be4c9a1158e86dRUN
    ldconfig
    		03/25/2021 8:29 PM UTC
    sha256:a3a50aa81efbe5a75883778a9511f1eca273f14bb1d832af80598252ce2d04baRUN
    mkdir /host_pwd
    		03/25/2021 8:29 PM UTC
    sha256:90bf4638624757023969fd96163950c3d0c6d433061f0f1f9b1234119f97a671COPY
    multi:a8dda10cbde9e7b35e47c8c99c58e4443a660927faf0c62598de7f51c6051e82 in /usr/src/
    		03/25/2021 8:29 PM UTC
    sha256:375ec3a5823c9859b6150dc6273c3c0d557c8196bb9386535a9f851fa071dc95RUN
    apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends libgfortran5 libgomp1 &&
  rm -rf /var/lib/apt/lists/*
    		03/25/2021 8:29 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    UCX_MEMTYPE_CACHE=n
    		03/25/2021 8:28 PM 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
    		03/25/2021 8:28 PM UTC