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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
185b2acbd46bfa25d82692215fe0b37fdcc4f3e17b820c42f823c20587eb0e49RUN
/bin/sh
06/22/2020 4:13 AM UTC
5a37a25748e037765ec51020cb0fbf8c10e300355f54b5bc8ccb9ea16386a4d6RUN
apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends hwloc libgomp1 &&
  rm -rf /var/lib/apt/lists/*
06/22/2020 4:13 AM UTC
4565cb75634e0d6d28ad03063c38a4c3a7b3a5ca28e417087d5969ffb7e5065aENTRYPOINT
["/usr/bin/nventry" "-gpu_base_dir=/usr/local/lammps"]
06/22/2020 4:12 AM UTC
7ed885c1b43398760c5763b24e53acd714f9614df2488a16d6c1254c18d06933COPY
file:c813e4e7cb2ea33631ab8258041006294b37066e906c14a49ffcfdb4eac52c5c in /usr/bin/nventry
06/22/2020 4:12 AM UTC
fdabc385f6ec95fa32493775a1c4297facfdef13d1e7f9eab6d6861ac8a4c1e1RUN
rm /etc/libibverbs.d/rxe.driver
06/22/2020 4:12 AM UTC
fc205a0cf153fbf2eb446f46210978cd3db629a55837933d5044b66049b7ff96RUN
mkdir /host_pwd
06/22/2020 4:12 AM UTC
7fc30962c5a21a8d6de5dc14b72c1dae173c606d72cbc65c430874cec6ec1b10COPY
multi:9cd1d6da5d6aba940fdc8589ca3e1d0f15ce600187327d25659124254ef419a9 in /usr/src/
06/22/2020 4:12 AM UTC
737c34f6ac11dd0e222b7656136f2cc0a942756124319bde4fd264eede386c42ENV
UCX_MEMTYPE_CACHE=n
06/22/2020 4:12 AM UTC
7d56c8abda2320892d2fe1ae17992c47f1a440fa8a9a321c34ee6beefc6c38adENV
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
06/22/2020 4:12 AM UTC
11f05a641284b47277868c50a52c37131bf4a7cba78e27a8f95d7362b2e4eb3dRUN
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
06/22/2020 4:12 AM UTC

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