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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:aa2664cafa0d1319f5cc81a9f6af2ed5f2866df186f1a9eb93ca8fae5af112fcCOPY
    file:53174ca831b39671343a73d47b43d8797e19ce79989fa965eb83bf97538e0c6c in /usr/local/cuda/lib64/libcufft.so.10
    		06/22/2020 3:41 AM UTC
    sha256:3b574ebc76a8bfe44c026e5d228cce28c60b03d1d00bc294e0945d667bff9ba3RUN
    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 3:41 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
    ["/usr/bin/nventry" "-gpu_base_dir=/usr/local/lammps"]
    		06/22/2020 3:41 AM UTC
    sha256:8c8a0f58b6e3418a21a36dd07ddff70bf7e42993e1ff92f156ec6ef1f5f17970COPY
    file:9914cfe1bc2773862f32ebbcde345082db1e0a84f914c10f26a967a713fc746d in /usr/bin/nventry
    		06/22/2020 3:41 AM UTC
    sha256:dd7265bbbfe6e3b96a4d8371d386da7638f6d66041dcf6de800a4ed6da57c7afRUN
    rm /etc/libibverbs.d/rxe.driver
    		06/22/2020 3:41 AM UTC
    sha256:a0ee6d9e8d837bd0480e977cca9f3ac780214662f0bc3af95720d15ecbbe7e50RUN
    mkdir /host_pwd
    		06/22/2020 3:41 AM UTC
    sha256:42ad26aacfdbd5e6beca0232e8377f9d67e79b96671d8cb0610ed03abc96112cCOPY
    multi:47d0b659b70dc8fad2e1c7f9beabe2e6f26a6def47f3c2a76038da84d110c5e1 in /usr/src/
    		06/22/2020 3:41 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    UCX_MEMTYPE_CACHE=n
    		06/22/2020 3:41 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 3:41 AM UTC
    sha256:1695bd0f6d3674d0afa576e1efc4dd4fb7a46b111214061c11822cb72cf54e83RUN
    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 3:41 AM UTC

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