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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
fda5b19f218fa5f97c2baff6e17355edb212427782d37a5995c0e8bf487e1bbeRUN
/bin/sh
11/13/2017 12:19 AM UTC
359c76796d1670d1273eabfbd6f7aee2d2e9264fed7f198072ab72fbe32605d4COPY
file:b6bae2c99249e4c3aa6785a51a09a8510b08f659f668b8a2775637aaf170f167 in /usr/bin
11/13/2017 12:19 AM UTC
fd4ee8d76b1e6a156792cce09760fb863e5c038d4609e6f867b2ce2bbc2e62e3WORKDIR
/workspace
11/11/2017 6:21 AM UTC
df523c337d37a727ef5007dced0ff6d4e7af614ece75c4c45d46dae3c6e4ce91RUN
mkdir /results
11/11/2017 6:21 AM UTC
d8d9293fb9ea5fc44f30c58e5702c7e90cc6388c2d7b17f08e013c82fb28363cRUN
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
057388393e2ce139f131025d33c9150a01baf2db96f25eff6fc754cc31e110d1COPY
file:0fc8ef9b8de65c5c5a84697ac794fea8f37f9a7b2d008ad1a4aee16c5dcc14aa in src/MAKE/OPTIONS
11/11/2017 3:28 AM UTC
cce7a898d4e003bde8f714cae9a41ee9457f0d582477dd014bb4c4195a35fbb1COPY
multi:2e51fe972730e8eaf9e2af7ecf088fbe56d2a8170ae0cd72d747b4fd5a33de58 in lib/gpu/
11/11/2017 3:28 AM UTC
f64842a295787bd1173032507b566eeebae3a1d8a60623041d70c66b55c9c5d2WORKDIR
/opt/lammps-patch_23Oct2017
11/11/2017 3:28 AM UTC
5a44246fda3facc12023017b1bf7fff8e916be13c113e77cfd2153198e6433d2RUN
tar -C /opt -xzf patch_23Oct2017.tar.gz
11/11/2017 3:28 AM UTC
25f05bdc7cd34edf5a754f1ea9ab11480bb2ffaafc642894ad03ae8669aac729ADD
57e873f2fcc9259e5360eaa74b4357b4dc9e972801c647a8265d0fbd48324e21 in /tmp
11/11/2017 3:28 AM UTC

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