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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
9400680f32e9dd008dc326c79bc25adc7d4dad794902021e47090fb6c2d2d61fRUN
/bin/sh
11/09/2020 6:05 PM UTC
ec5cc36ac9a9b4d693641c746f0e229aaad3a867e31797ee2f1b3b7a0aeeb8ceRUN
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
45c9613fa5b20ac045dc9b0b0fd0b86bf3ecaee1c11ea21be80fe990d6d2578aENTRYPOINT
["/usr/bin/nventry" "-gpu_base_dir=/usr/local/lammps"]
11/09/2020 6:05 PM UTC
80eda33895c587f287701b4853828533eead86bcbafda8998cbc545f56c4553eCOPY
file:c813e4e7cb2ea33631ab8258041006294b37066e906c14a49ffcfdb4eac52c5c in /usr/bin/nventry
11/09/2020 6:05 PM UTC
149c3979afaf0617d5eaa94ed4448aa88546a0b6438632e31889bbd01aec17a1RUN
ldconfig
11/09/2020 6:05 PM UTC
f11c4a7a52cf6dc48a4978479e71df963d5ced3d0643af2b0bdece50f1d8e147RUN
mkdir /host_pwd
11/09/2020 6:05 PM UTC
eabb5058ffbb17f1bea5fb25f69248f0697371d9cf12a2c33e091929e09285dcCOPY
multi:6e847bda151a866a5b5212d378ec90b3763cdad3f3fe5e8c6761aa5b7d5caf30 in /usr/src/
11/09/2020 6:05 PM UTC
3801759e63976d6b2c131b3874e33dfcb58a47d79c4ea6be76eeb487fa067821ENV
UCX_MEMTYPE_CACHE=n
11/09/2020 6:05 PM UTC
f8ffde4cfe5bd46d5fb0ea812a7933d717609c9793200d5fb8027bad9cec3715ENV
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
4ab8145f1ff0b06e6c8d0bcf9dcd794b7516a13260730bf076d4a7e55a59f1a2RUN
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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