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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
658257fede43ba1895de34794c99e2750ebfc5950475d42b55d25cf117d41bedRUN
/bin/sh
02/04/2022 7:02 PM UTC
3e37862f90cfbf2292e298adb336f84bf9237c9650d588a90c4eb0d898ed8822RUN
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
227c5d881a4e6c6f0137eb15aa79304f7285c88531ae50d331e583c469f2c089ENTRYPOINT
["/usr/bin/nventry" "--build_base_dir=/usr/local/lammps" "--build_default=gpu_native"]
02/04/2022 7:01 PM UTC
f459a9209dd05f5057621b8cb3d7e912d91aa1a910b9ec4ede05ad7b8e79b049COPY
file:b24c557a750ad68d818204b07988269fc237aa0a39c25edfe26d1bfb3bcc649b in /usr/bin/nventry
02/04/2022 7:01 PM UTC
231b3f1dfb64a3de884e88eb1dba39d20ac7eee5bdd60b84f4fefc26a3212a37RUN
ldconfig
02/04/2022 7:01 PM UTC
59b1cd9023eceed147ba2acb71cdce4b6d1f5a2618a52d3f85064926ae354262WORKDIR
/host_pwd
02/04/2022 7:01 PM UTC
271c65e3aebe93ece7aa4b3321e2966b5e3644e9207b0f3bf0e8c50cf14c38b5COPY
multi:0f9c8765eab9ad7d7b5b1f96ec79a6d88d3cb10f2ca2b38a8f8f30752f5eaf7a in /usr/src/
02/04/2022 7:01 PM UTC
4dc3e32bead8dd4770cc0867be7c68ae37ff6c36cd01ad138bda0cddfb96e3f1ENV
UCX_MEMTYPE_CACHE=n
02/04/2022 7:01 PM UTC
640330c2abba7d2ad0bc4d85469fd22b50ac9de47f897bb536e0edf99807c5faENV
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
1dff05b2b824a125663ae84c3ed7f759b3d550a866ad1d86ba1cefcce1c656eaRUN
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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