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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:d77673b82a9350c46e92a5ffa19972f02e601a6add05827e4fc9a314c957b501RUN
ldconfig
11/09/2020 5:47 PM UTC
sha256:6f8e94f2cab4916df81283b8d7590edc18bef97548740943c3a1d2c40fd41497RUN
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
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
["/usr/bin/nventry" "-gpu_base_dir=/usr/local/lammps"]
11/09/2020 5:47 PM UTC
sha256:d92a7e77f7efd7deb704b92289d1efd2da3727b68a7d53c53cc42639f47d37caCOPY
file:9914cfe1bc2773862f32ebbcde345082db1e0a84f914c10f26a967a713fc746d in /usr/bin/nventry
11/09/2020 5:47 PM UTC
sha256:68fe2695583ce70194b6aeac77937a6613ec35000f79f808c9d6e4556b1e4657RUN
ldconfig
11/09/2020 5:47 PM UTC
sha256:96d9e49f22f2e88f15cc7a5bd69b05f32f749982a94fcef0846c2e45fbd1144cRUN
mkdir /host_pwd
11/09/2020 5:47 PM UTC
sha256:6a4254b92a9d433e5884b01127c2b6ca7d5a3aad8046ef511c55d5d9eee433d5COPY
multi:fa2f11de7de32c933ca51680359919028074c54a4adf016f6ef063c1c6bf2598 in /usr/src/
11/09/2020 5:47 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
UCX_MEMTYPE_CACHE=n
11/09/2020 5:46 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
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
sha256:26563e012af592e0a6b2a22b845247b38f049563c652f35a543c884f35c951fdRUN
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