hydroflow-opt

hydroflow-opt is a Linux/Python 3.11–3.13 orchestration package for simulation-based optimization. It uses pygmo's island model and runs individual case evaluations in isolated subprocesses.

Cases are supplied by installed plugins. The package includes a deterministic quadratic case for laptop development and tests. A real case, such as hydroflow-opt-hydrofoil, depends on hydroflow-opt rather than the reverse.

Installation

Install with uv or pip on a supported Linux system:

uv sync --extra tests
# or
python -m pip install --editable '.[tests]'

pygmo is a required dependency. A simulation case may have additional runtime prerequisites, but those must not be imported by hydroflow-opt itself.

Run explicit candidates

hydroflow-opt check examples/quadratic.toml
hydroflow-opt run examples/quadratic.toml
hydroflow-opt inspect examples/runs/quadratic

[run]
directory = "runs/quadratic"
scratch_directory = "runs/quadratic/scratch"

[case]
name = "quadratic"

[resources]
available_cpus = 1
concurrent_evaluations = 1
mpi_ranks = 1
threads_per_rank = 1

[[candidate]]
id = "baseline"
[candidate.parameters]
x = 1.0
y = 2.0

Each candidate gets its own request, result, stdout, stderr, and scratch directory under the run directory. The resource invariant is:

concurrent_evaluations × mpi_ranks × threads_per_rank ≤ available_cpus

hydroflow-opt refuses a configuration that violates it. A case may use the allocated MPI rank count internally, but it must never choose global concurrency or use an oversubscription flag.

Optimize with islands

Add an [optimization] table and use optimize:

[optimization]
islands = 4
population_size = 8
generations = 10
differential_weight = 0.8
crossover_rate = 0.9
topology = "fully_connected"
seed = 12345 # optional; generated and recorded when omitted

hydroflow-opt optimize path/to/config.toml

Optimization runs write an atomic JSON checkpoint after initialization and after every generation. Resume an interrupted run using its stored effective configuration:

hydroflow-opt resume path/to/run-directory

Software and platform versions are recorded in manifest.json. Compatible version changes produce warnings when resuming rather than blocking the run; hydroflow-opt treats deterministic replay as best-effort.

The initial implementation supports pygmo differential evolution and a fully-connected archipelago. Islands use pygmo multiprocessing and therefore cannot exceed resources.concurrent_evaluations; this preserves the CPU budget even when each evaluation launches MPI ranks. The case plugin supplies parameter names, bounds, and decoding; optimization settings are per run.

Write a case plugin

Publish an entry point in the hydroflow_opt.cases group. Its plugin object exposes a parameter_space(options) method and a worker_command(request, result) method. The command receives JSON paths and must write one structured result. The worker protocol lets a future Slurm backend launch exactly the same case worker with scheduler-owned resources.