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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
sha256:3f7fe3004f3afcb126170048996774054e5131f7d3a3de150895b76c64161b8fRUN
ldconfig
12/01/2022 11:35 PM UTC
sha256:391f79a60d39e2a6933394ebe50763b811220533199ca057c42bc21e841a21a5RUN
apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends hwloc libgomp1 &&
  rm -rf /var/lib/apt/lists/*
12/01/2022 11:35 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
["/usr/bin/nventry" "--build_base_dir=/usr/local/lammps" "--build_default=gpu_native" "-try_lazy_loading"]
12/01/2022 11:35 PM UTC
sha256:b010211411c8a9ea5d742807efd83c21cf91922c83d1fd42f3d794eb760d20c1COPY
file:17691762f3b9dd662babe34401759ca7c867889ad718f182f4094e1ee49e677d in /usr/bin/nventry
12/01/2022 11:35 PM UTC
sha256:5c6990daf698a2275842ca587a37d7dbb10313aca82314703b234864e3b574c8RUN
ldconfig
12/01/2022 11:35 PM UTC
sha256:f525a709cb1691cbef47ae2791714f9ff69076a46b18b932c69c6affe1068fb1RUN
apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends time &&
  rm -rf /var/lib/apt/lists/*
12/01/2022 11:35 PM UTC
sha256:581a31f52614601107e91ccc508af5da695ffe4ee77bb44b1c2f3311e76fbe59WORKDIR
/host_pwd
12/01/2022 11:34 PM UTC
sha256:5f1a7de59a7c9d8c9de7b07995f0c8666c68d20e8da40885413e54d2010b84e9COPY
multi:c60dc2c987171103927a3a2742ad601b3f0f2e10f6427ebb69946f5935478f5c in /usr/src/
12/01/2022 11:34 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
UCX_MEMTYPE_CACHE=n
12/01/2022 11:34 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
12/01/2022 11:34 PM UTC

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