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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
ac938911f34087f1b3736276ce0e10ba89769421f86950360aab64e30842af2dRUN
/bin/sh
03/25/2021 8:30 PM UTC
fd4d8f357448c2bb48198edd940026bc9e4704839fa310639e08c9cc89d1f14fRUN
apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends hwloc libgomp1 &&
  rm -rf /var/lib/apt/lists/*
03/25/2021 8:30 PM UTC
1aef0aed71f2a0f5ba5f521e292db9574a050fcce6f9cc80730d08b2fb8d520fENTRYPOINT
["/usr/bin/nventry" "-gpu_base_dir=/usr/local/lammps"]
03/25/2021 8:29 PM UTC
23507e36892a8668be845008c691c12e8f4e643bb71979db00c653cd9ef4a688COPY
file:e5cbafbc0bdf1cb51dc0e6c5db47b3bf5e73d55c442bbee3d30da30028b61f3a in /usr/bin/nventry
03/25/2021 8:29 PM UTC
c710353719fba984356f1fd97e2694f02e0f2afa30d1c66bf046ed4625aafcd9RUN
ldconfig
03/25/2021 8:29 PM UTC
40b8ebeb52cd1659defd9d9b2be2a2fba334a5f69657fccf925a9691525a1b79RUN
mkdir /host_pwd
03/25/2021 8:29 PM UTC
34dc1453571bdc5d98ea9fa05c27d85131f313d3cb4bfc464466048d2bec0361COPY
multi:a8dda10cbde9e7b35e47c8c99c58e4443a660927faf0c62598de7f51c6051e82 in /usr/src/
03/25/2021 8:29 PM UTC
e4fde86cdab67dc2bd1a549d7194c5bcdf62987e0d4e56711dd8252c4ec87427RUN
apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends libgfortran5 libgomp1 &&
  rm -rf /var/lib/apt/lists/*
03/25/2021 8:29 PM UTC
6e602072f0a56ad20f4edb11718a7cd10d7c4c38765d53e1445602aa9ea9438eENV
UCX_MEMTYPE_CACHE=n
03/25/2021 8:28 PM UTC
0ffceb626f4cd1c1c13d77e0ade8ca818220d5142aeac4528363a5bf3d8f3110ENV
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
03/25/2021 8:28 PM UTC

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