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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
d7fc4bf5c5c693e2f11b219ac96789cdc95d38f9b3891a7e3de1dd25b922d9d6RUN
/bin/sh
11/09/2020 6:05 PM UTC
b177a8cf70622a3e189bef6375bbb6d952782f972a260fc9495d22526ba863d3RUN
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 6:05 PM UTC
41e3f6a1ab88203d3734d8f7f99f004230a06bd090c77a3c1052e995b974f75bENTRYPOINT
["/usr/bin/nventry" "-gpu_base_dir=/usr/local/lammps"]
11/09/2020 6:05 PM UTC
79c2f8c0dcf4ad125cd5dc66545da73ffffd0fdf5dd67f835b451235eff4460aCOPY
file:c813e4e7cb2ea33631ab8258041006294b37066e906c14a49ffcfdb4eac52c5c in /usr/bin/nventry
11/09/2020 6:05 PM UTC
2c775ea5c06d613bd6a261a08e51f940dc712b6c52f7bc115ea57878aaae5ac7RUN
ldconfig
11/09/2020 6:05 PM UTC
9dcbaa095538649f38dff059e64265b5fb14aedfe77af1fd8d59e1f53a5bd320RUN
mkdir /host_pwd
11/09/2020 6:05 PM UTC
4891807c17765927c1343c202f9992796ef808137d2637647ec9edaa9736b779COPY
multi:6e847bda151a866a5b5212d378ec90b3763cdad3f3fe5e8c6761aa5b7d5caf30 in /usr/src/
11/09/2020 6:05 PM UTC
597d48e5b6b2d2aec4a55a718d73eb9c9ef48cbd65a81d383cc3ce5ecc51bd04ENV
UCX_MEMTYPE_CACHE=n
11/09/2020 6:05 PM UTC
60a61326b568d865f5223840a58ebbad6f342d5c5031bee12fd5b62a37b2b964ENV
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 6:05 PM UTC
a5ce6483faf7162cd718315934aebf7b5ab6feacb1c5eddf21b20b2d7847bbb2RUN
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 6:05 PM UTC

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