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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
0a99b3f7e269cdfa6b97b4a106b69173bdaf20439173c9157eb03d38beba14c5RUN
/bin/sh
11/09/2020 5:47 PM UTC
e6d18c394a09809ce7722899812641eadb05fa6818dc47e5297e40960bfee754RUN
apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends hwloc libgomp1 &&
  rm -rf /var/lib/apt/lists/*
11/09/2020 5:47 PM UTC
85a48e43faa3cd440e46bac7d3d588ceb7988ececf4f0d19dd23fa74fc8f50b1ENTRYPOINT
["/usr/bin/nventry" "-gpu_base_dir=/usr/local/lammps"]
11/09/2020 5:47 PM UTC
e5d176e0bc6621f351dfb8ff757698080a0832f1d650241bcf76d617e5440babCOPY
file:9914cfe1bc2773862f32ebbcde345082db1e0a84f914c10f26a967a713fc746d in /usr/bin/nventry
11/09/2020 5:47 PM UTC
b860b6e1683d3a9256af356cea2614cda90ebd2cf780b41a4e30f92d510c605eRUN
ldconfig
11/09/2020 5:47 PM UTC
4f9bd747160c807cf06534a64257a21891e74a4adb2a09b75b02f459c42b04fcRUN
mkdir /host_pwd
11/09/2020 5:47 PM UTC
1570f12b9c772eb502a4f48952e2dbb7749c4aa59d18070d151328b79cdaf437COPY
multi:fa2f11de7de32c933ca51680359919028074c54a4adf016f6ef063c1c6bf2598 in /usr/src/
11/09/2020 5:47 PM UTC
70afd825221169b5a909a8d00099472f94a442608160642d7f1bd15eaf5587fcENV
UCX_MEMTYPE_CACHE=n
11/09/2020 5:46 PM UTC
234b195d2c6c3cb483f06db2c556809d3b4acbb5c4a83570ea44223feef525b8ENV
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
11/09/2020 5:46 PM UTC
f6a1a6955614d87eb21aa6fed9a97fec2b15c7f132a9d81b000261fd33365cdfRUN
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
11/09/2020 5:46 PM UTC

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