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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
c2df421499be2b915a8ecc07c671092f7eaf100de6af9236e961769397f69288RUN
/bin/sh
05/09/2022 1:06 AM UTC
a7f2f96e74b40590d4a718fbfa46ce81d809a0218cb88579f5002b0de25b45d2RUN
apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends hwloc libgomp1 &&
  rm -rf /var/lib/apt/lists/*
05/09/2022 1:06 AM UTC
3634b647b5f2c0a15f0751365d7f0d1e61419fcd5a2d3df9ca826eacde141309ENTRYPOINT
["/usr/bin/nventry" "--build_base_dir=/usr/local/lammps" "--build_default=gpu_native"]
05/09/2022 1:06 AM UTC
d6e54d5bd57e22a62db97ec2fdb1f77c2e8334f3c5cc941a1048ef721f3db6e6COPY
file:b24c557a750ad68d818204b07988269fc237aa0a39c25edfe26d1bfb3bcc649b in /usr/bin/nventry
05/09/2022 1:06 AM UTC
41dfb886435fbe316bcb13de9854bb133d4381a3866743178791a59080865cb4RUN
ldconfig
05/09/2022 1:06 AM UTC
a75a5f67abb91834c0984a74b93e1ae0ecc8fd8af8aba43531c4bc69058ac8b2RUN
apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends time &&
  rm -rf /var/lib/apt/lists/*
05/09/2022 1:06 AM UTC
edc60898b9981f062bd2aafaeea06581ab01dbaa1e20ffb0c9b599e33b5bc3feWORKDIR
/host_pwd
05/09/2022 1:05 AM UTC
6b86dbe4aa6fcb51c67a064352ee0b3047b4387ef1828faf74677738656149afCOPY
multi:b2c142f57e8a1386f8cbb339b1ac9ec06172b0f4c5aef3b5689bc2cbcff23c11 in /usr/src/
05/09/2022 1:05 AM UTC
d37ee2e54f526f1f17fbbd0ebd08cbaec626a53476c3b785f030de540a329a22ENV
UCX_MEMTYPE_CACHE=n
05/09/2022 1:05 AM UTC
93338313f3bbb446e9ea32dfdddb15c1af085cb5eb2e5cafb8f9994e8318984eENV
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
05/09/2022 1:05 AM UTC

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