MMSP spinodal decomposition benchmark, periodic domain

meta.yml

---
metadata:
  # Describe the runtime environment
  summary: MPI parallel workstation benchmark with MMSP, periodic domain
  author: Trevor Keller
  email: trevor.keller@nist.gov
  date: Wed, 04 Jan 2017 19:30:31 -0500
  hardware:
    # Required hardware details
    architecture: x86_64
    cores: 6
    # Optional hardware details
    details:
      - name: clock
        value: 3600.078
        units: MHz
  software:
    name: Mesoscale Microstructure Simulation Project (MMSP)
    url: https://github.com/mesoscale/mmsp
    version: 4
    repo:
      url: https://github.com/mesoscale/mmsp/tree/develop
      version: 8f29eb47146b9fbbdcd17b08d12e06fceb3ed728
      branch: develop
  implementation:
    end_condition: time limit
    repo:
      url: https://github.com/mesoscale/MMSP-spinodal-decomposition-benchmark/tree/master/periodic/
      version: 1de1abe6dc9a7d7251ec44e6ee18db907f84543e
      branch: master
    details:
      - name: mesh
        value: uniform rectilinear
      - name: numerical_method
        value: explicit finite difference
      - name: compiler
        value: GNU mpic++
      - name: parallel_model
        value: MPI

benchmark:
  # Specify the problem
  model: spinodal decomposition
  boundary_condition: periodic
  id: 1a
  domain:
    - name: geometry
      value: square
    - name: origin
      value: [0, 0]
    - name: size
      value: [200, 200]
    - name: resolution
      value: [1, 1]

data:
  # Gather simulation output
  - name: timestep
    value: 0.00195312
  - name: free energy
    # JSON list of {time, energy} pairs
    value: [{"x":0, "y":319.094}, {"x":1.95312, "y":318.909}]
  - name: run time
    value: 65.48
    unit: seconds
  - name: memory usage
    value: 27280
    unit: KB

I put the origin and size in a list of domain details, which should be considered optional. If a pedant wants to include it, there's no harm, right? Same for a lot of the other details, such as clock speed, compiler, numerical method... Only important to someone who's curious enough about particulars to open one of these files.

I'm trying to use the vega data format for free energies. It passes the YAML lint test, but I'm still not 100% sure this is proper syntax. I have a sneaking suspicion that the entire data section belongs in a JSON block, but we can iterate on that.

The pieces are now in a different order since I have the governor script writing metadata, initialization code writing the benchmark, and the timestepper writing the data section. I believe this is irrelevant to the YAML parser, and it makes automatic generation of meta.yml easy (on GNU/Linux systems).