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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:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
/usr/bin/entrypoint.sh
11/13/2017 12:19 AM UTC
sha256:e965e2983543e16f6212e01a1d1ba46380ffb4bca6821f8ae8a84689c95bded9COPY
file:b6bae2c99249e4c3aa6785a51a09a8510b08f659f668b8a2775637aaf170f167 in /usr/bin
11/13/2017 12:19 AM UTC
sha256:587403629ad659505ddc8778e3cafe5bdc86f8c2ac37488bac512c07d4c9024cWORKDIR
/workspace
11/11/2017 6:21 AM UTC
sha256:5ff9af35c6180c01f475b06624040540f95a9556b92e1073a7b265c177e08f9aRUN
mkdir /results
11/11/2017 6:21 AM UTC
sha256:ecc972daf2c956e9df690efc47e74100b8ec212fe299565d2d0463e5f240a75dRUN
cd lib/gpu &&
  make -f Makefile.linux.mixed -j 32 &&
  cd ../../src &&
  make yes-asphere yes-gpu yes-kspace yes-manybody yes-molecule yes-replica yes-rigid yes-misc yes-user-omp yes-kokkos yes-user-reaxc yes-manybody &&
  make -j 32 kokkos_cuda_openmpi &&
  cp lmp_kokkos_cuda_openmpi /usr/bin/lammps
11/11/2017 3:34 AM UTC
sha256:022359a1b78cf7988129769a109c26c1e515dc56c0117f31947cb00ccf6eeb93COPY
file:0fc8ef9b8de65c5c5a84697ac794fea8f37f9a7b2d008ad1a4aee16c5dcc14aa in src/MAKE/OPTIONS
11/11/2017 3:28 AM UTC
sha256:a119ed8cae567b226d8a936eea8824fe5b3961b110ec2496136bd67890e7dfebCOPY
multi:2e51fe972730e8eaf9e2af7ecf088fbe56d2a8170ae0cd72d747b4fd5a33de58 in lib/gpu/
11/11/2017 3:28 AM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4WORKDIR
/opt/lammps-patch_23Oct2017
11/11/2017 3:28 AM UTC
sha256:9de7fcea428d87f963740f0ea192311d45db110002aec09de6246099fdc8eedbRUN
tar -C /opt -xzf patch_23Oct2017.tar.gz
11/11/2017 3:28 AM UTC
sha256:455ee4edd1c92b29ae97abc0918d6ed10d42f77564943772db5c4af9f5775e71ADD
57e873f2fcc9259e5360eaa74b4357b4dc9e972801c647a8265d0fbd48324e21 in /tmp
11/11/2017 3:28 AM UTC

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