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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
    sha256:6c9f582de1775d4b598434e9254e1e17932c1ee5d9f19e874f83824f23fbc4fcCOPY
    file:2860c3c5b01848494c900917934bfa8c12d0da8e252148f98b035216f0d46ab1 in /usr/local/cuda/lib64/libcufft.so.10
    		06/22/2020 4:13 AM UTC
    sha256:0b5a7c0c0d45ea238b1be63acf8bb0f773e2125e9f86f659b2585a0dc03abdfaRUN
    apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends hwloc libgomp1 &&
  rm -rf /var/lib/apt/lists/*
    		06/22/2020 4:13 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
    ["/usr/bin/nventry" "-gpu_base_dir=/usr/local/lammps"]
    		06/22/2020 4:12 AM UTC
    sha256:e09d02e0c2ec718577a9f24a3efe7f9e562f27e12f9cec00e657a4bedb2c398cCOPY
    file:c813e4e7cb2ea33631ab8258041006294b37066e906c14a49ffcfdb4eac52c5c in /usr/bin/nventry
    		06/22/2020 4:12 AM UTC
    sha256:194344778badc59d5b283fbadb213cc802a3389ea24aa60282221d0df2995029RUN
    rm /etc/libibverbs.d/rxe.driver
    		06/22/2020 4:12 AM UTC
    sha256:551bbf69343f50215ede3bf3e31b626f21dd8ecb494555633b9024df352b0804RUN
    mkdir /host_pwd
    		06/22/2020 4:12 AM UTC
    sha256:0280eba090fb14e4be9dafac4b399d13ddbfa9bab2e93aefe4a0f777addd5152COPY
    multi:9cd1d6da5d6aba940fdc8589ca3e1d0f15ce600187327d25659124254ef419a9 in /usr/src/
    		06/22/2020 4:12 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    UCX_MEMTYPE_CACHE=n
    		06/22/2020 4:12 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    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
    		06/22/2020 4:12 AM UTC
    sha256:f3c6aa9d72e5f00c9a8db31254b49eeb3de1902dfe3469c9c01f893f670e495dRUN
    echo "/usr/local/openmpi/lib" >> /etc/ld.so.conf.d/hpccm.conf &&
  echo "/usr/local/ucx/lib" >> /etc/ld.so.conf.d/hpccm.conf &&
  ldconfig
    		06/22/2020 4:12 AM UTC