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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
sha256:2f3358781de7cad744699f98875f9bb3dca132e5d7b34a145df96df472a02307RUN
ldconfig
02/04/2022 7:02 PM UTC
sha256:dd9b59c86b2e3119dd8195325106d9bc4b0f92ca610469cd31d13f1e8a38ebe6RUN
apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends hwloc libgomp1 &&
  rm -rf /var/lib/apt/lists/*
02/04/2022 7:02 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
["/usr/bin/nventry" "--build_base_dir=/usr/local/lammps" "--build_default=gpu_native"]
02/04/2022 7:01 PM UTC
sha256:3855c96d8e365ef088da17cd7718559831beb4c8d38222206915f719758f0d27COPY
file:b24c557a750ad68d818204b07988269fc237aa0a39c25edfe26d1bfb3bcc649b in /usr/bin/nventry
02/04/2022 7:01 PM UTC
sha256:609ba8ca7ee0248ef5b8d68d7edf799c1a865434559cc78c62ee273c5e538894RUN
ldconfig
02/04/2022 7:01 PM UTC
sha256:eac8c71c07d4ba76ce912e4c2a8022ff7ea683aac3e00c2dcd27f3d49077fdcdWORKDIR
/host_pwd
02/04/2022 7:01 PM UTC
sha256:bf6ec0e0c039d47c4a0297d721e2faa9e6cfda3ae62f0152ac0b22f943daafd7COPY
multi:0f9c8765eab9ad7d7b5b1f96ec79a6d88d3cb10f2ca2b38a8f8f30752f5eaf7a in /usr/src/
02/04/2022 7:01 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
UCX_MEMTYPE_CACHE=n
02/04/2022 7:01 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
02/04/2022 7:01 PM UTC
sha256:ec4010e457f033515b326c6c054f6dd714dfced605daa115beccd1713b31c532RUN
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
02/04/2022 7:01 PM UTC

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