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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
4c5a4762a4d5bc20a35b11599ededb79c432e25c585a6530dc60623f7fed8392RUN
/bin/sh
08/04/2023 8:34 PM UTC
caa61a445127d0e894072231d0dddaf873d5805b6cec2ef20272f469d337bda5RUN
apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends hwloc libgomp1 &&
  rm -rf /var/lib/apt/lists/*
08/04/2023 8:34 PM UTC
a7533f949739cd957166a4ca0f9a21f65d13e5c0808aafb5b2e3374d6b2a91ceENTRYPOINT
["/usr/bin/nventry" "-build_base_dir=/usr/local/lammps" "--build_default=gpu_native" "-try_lazy_loading"]
08/04/2023 8:34 PM UTC
fbe33a04d5afc6f5207d54cc4f017790cd234f92b8932677cf204559d1c49e8dCOPY
file:228bcd2fab359acddc8f16d0370da826d9c9400a0a6b45267b8e8f75c8af2ae8 in /usr/bin/nventry
08/04/2023 8:34 PM UTC
682546d7dd320617757d778c51bac4fbc716ad35a8010fca25d1f976876fc217RUN
ldconfig
08/04/2023 8:33 PM UTC
5717af2e000e51623a8043a741ad2c49aaafc8bc85e83238c5918a2beff69923RUN
mkdir /host_pwd
08/04/2023 8:33 PM UTC
2f6810d8783ee9d5a08917f0a876dd51df91c2f654da743593ee2923ae61875dCOPY
multi:085d8dba3e1493dd568ed95c86870ec2e65cd556e908c5479d7d472af920d70a in /usr/src/
08/04/2023 8:33 PM UTC
8076cfafdba7f43be8b530b82cb370ae5067132e49bbaad979a73c2ac6b22de3ENV
UCX_MEMTYPE_CACHE=n
08/04/2023 8:33 PM UTC
dc65e67755d2a9499ab248e258d1c919ee3c999292037f0047e5aa01b8ba0f29ENV
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
08/04/2023 8:33 PM UTC
d354e10bb2260dfa8330d78f93926d73ffdf72db7f2d0a5851ca37d829677823RUN
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
08/04/2023 8:33 PM UTC

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