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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
sha256:0a5fa0c17551240730ffe538ecb1c67b8433384a03433ac3ffe2fb4094077db4COPY
file:2860c3c5b01848494c900917934bfa8c12d0da8e252148f98b035216f0d46ab1 in /usr/local/cuda/lib64/libcufft.so.10
06/22/2020 4:13 AM UTC
sha256:70ab4bbd07c794e0c99ac789728dde92685005e7dd59810d42466074bc7ed095RUN
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
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
["/usr/bin/nventry" "-gpu_base_dir=/usr/local/lammps"]
06/22/2020 4:12 AM UTC
sha256:8e42e38c5288af54baf460e5253f8ba5e7d280537c66bad1e597099bbeb3230bCOPY
file:c813e4e7cb2ea33631ab8258041006294b37066e906c14a49ffcfdb4eac52c5c in /usr/bin/nventry
06/22/2020 4:12 AM UTC
sha256:e2760558fc08a4e87b48e05da7a1327fea77a48b134700e66178f7c45038f57bRUN
rm /etc/libibverbs.d/rxe.driver
06/22/2020 4:12 AM UTC
sha256:dfb6fc8cc9ee42350328c2b9df94fc496aacc15823b1fa5b5784436239d8d522RUN
mkdir /host_pwd
06/22/2020 4:12 AM UTC
sha256:7dc94223a0d6528d2ed30a08b484ce69f279110bf118d34b7b8c30087e7c861dCOPY
multi:9cd1d6da5d6aba940fdc8589ca3e1d0f15ce600187327d25659124254ef419a9 in /usr/src/
06/22/2020 4:12 AM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
UCX_MEMTYPE_CACHE=n
06/22/2020 4:12 AM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
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
sha256:63c9582d44ebb040efa52d28808027a54b66110d14ca4d47de45a97a3ee46186RUN
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