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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
e45870e76ea62ec85ffe1e4fd1f3ae077c96fcddc714d53b893cdef343aed48eRUN
/bin/sh
12/01/2022 11:35 PM UTC
c5ee4b635c250968c11baecd7324e29eee36e052beff3f006dfcc40643d14bf1RUN
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
17aaf20389b25952da7cb7ebbd9c4386a8d83d5bda28942920219937704519f6ENTRYPOINT
["/usr/bin/nventry" "--build_base_dir=/usr/local/lammps" "--build_default=gpu_native" "-try_lazy_loading"]
12/01/2022 11:35 PM UTC
7c19e1b33de4102609e96a0dfec7bac34663e9ef8e1cef13d44070268c3fcceeCOPY
file:17691762f3b9dd662babe34401759ca7c867889ad718f182f4094e1ee49e677d in /usr/bin/nventry
12/01/2022 11:35 PM UTC
af9dce0f98ec889a2b2b90ec92736e02cbfa44a0b4322998282ebd8ceafb2506RUN
ldconfig
12/01/2022 11:35 PM UTC
310b572b60c945da04d53ceeed87e4ed471b518327a61bc5c9885ead8cee9d05RUN
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
89aaba06fc10a6f349bfc5896e6bb9c54a7b4615b43192acd85d54a93c001e10WORKDIR
/host_pwd
12/01/2022 11:34 PM UTC
b43e3cc904df675c25992e114d1b569b3b4bc5dc6e18742edc7eede472dca38eCOPY
multi:c60dc2c987171103927a3a2742ad601b3f0f2e10f6427ebb69946f5935478f5c in /usr/src/
12/01/2022 11:34 PM UTC
295d507b1e76f7b165ee9afddac9c230dd48a150973ad044e5997961a595faf9ENV
UCX_MEMTYPE_CACHE=n
12/01/2022 11:34 PM UTC
60b43af4d5204210f6dd116386035aa1a4203b3d96f7e2521c9add885f4f96daENV
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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