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Collection of Dockerfiles and Apptainer files used to create containers on Hoffman2

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ucla-oarc-hpc/hpc_containers

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Dockerfiles

These dockerfiles are built for use on Hoffman2

These images have been built and stored on OARC RTG's Docker hub

These images can also be founded on Hoffman2 located at $H2_CONTAINER_LOC

Any questions on using these images can be submited though Hoffman2 Support or email Charles at cpeterson@oarc.ucla.edu

Base Build

These images have the basic compilers, libraries, MPI, etc needed to build applications

  • Dockerfile-H2-build-ubuntu20.04-gcc8.5.0-oneapi2022.1.2

    • GCC: 8.5.0
    • OneAPI: 2022.12
  • Dockerfile-H2-build-ubuntu20.04-gcc10.3.0-oneapi2022.1.2

    • GCC: 10.3.0
    • OneAPI: 2022.12
  • Dockerfile-H2-build-ubuntu20.04-gcc10.3.0-OB0.3.20-OMPI4.1.2

    • GCC: 10.3.0
    • OpenBLAS: 0.3.20
    • OpenMPI: 4.1.2

Base Run

This images have the basic runtime libraries

  • Dockerfile-H2-run-ubuntu20.04-gcc8.5.0-oneapi2022.1.2

    • GCC: 8.5.0
    • OneAPI: 2022.12
  • Dockerfile-H2-run-ubuntu20.04-gcc10.3.0-oneapi2022.1.2

    • GCC: 10.3.0
    • OneAPI: 2022.12
  • Dockerfile-H2-run-ubuntu20.04-gcc10.3.0-OB0.3.20-OMPI4.1.2 - GCC: 10.3.0 - OpenBLAS: 0.3.20 - OpenMPI: 4.1.2

NWChem

These images have NWChem

  • Dockerfile-H2-nwchem-7.0.2

LAMMPS

LAMMPS

  • Dockerfile-H2-lammps-29Sep2021

You can customize you own build of LAMMPS by chaning the lammps-cmake file

Opensees

OpenSees

  • Dockerfile-H2-openseesmp-3.3.0

Rstudio

Rstudio server for Hoffman2

These rstudio images were built using Rocker

  • Dockerfile-H2-rstudio-4.1.0
  • Dockerfile-H2-rstudio-4.0.5

Peridigm

Peridigm

  • peridigm.def

MIDAS

MIDAS

  • MIDAS-mod.def

Prismatic

Prismatic

  • prismatic-v2.0.def

RheoTool

RheoTool

  • rheotool-5.0.def

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