fulvwen/triqs-full repository overview

⁠TRIQS with its supported impurity solvers

Container image available at

• Docker⁠ docker pull fulvwen/triqs-full:gcc-mpich
• Github Packages⁠ docker pull ghcr.io/lyuwen/triqs-full:gcc-mpich

⁠Available list:

• CTHYB
• Pomerol
• NRG Ljubljana
• Hubbard I
• Hartree Fock
• W2dynamics

⁠Usage

• Use within docker

  docker run -ti --rm -v $PWD:/work --workdir /work fulvwen/triqs-full:gcc-mpich python3 script.py
  

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• Use with Singularity

  singularity build triqs-full-gcc-mpich.sif docker://fulvwen/triqs-full:gcc-mpich
  

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  1. use singularity interactively

     singularity shell --bind /home triqs-full-gcc-mpich.sif
     

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  2. execute command directly with singularity

     mpirun -n 4 singularity exec --bind /home triqs-full-gcc-mpich.sif python3 script.py
     

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