Simulation Validator

Goal

Provide a three-stage validation protocol: pre-flight checks, runtime monitoring, and post-flight validation for materials simulations.

Requirements

• Python 3.8+
• No external dependencies (uses Python standard library only)
• Works on Linux, macOS, and Windows

Inputs to Gather

Before running validation scripts, collect from the user:

Input	Description	Example
Config file	Simulation configuration (JSON/YAML)	simulation.json
Log file	Runtime output log	simulation.log
Metrics file	Post-run metrics (JSON)	results.json
Required params	Parameters that must exist	dt,dx,kappa
Valid ranges	Parameter bounds	dt:1e-6:1e-2

Decision Guidance

When to Run Each Stage

Is simulation about to start?
├── YES → Run Stage 1: preflight_checker.py
│         └── BLOCK status? → Fix issues, do NOT run simulation
│         └── WARN status? → Review warnings, document if accepted
│         └── PASS status? → Proceed to run simulation
│
Is simulation running?
├── YES → Run Stage 2: runtime_monitor.py (periodically)
│         └── Alerts? → Consider stopping, check parameters
│
Has simulation finished?
├── YES → Run Stage 3: result_validator.py
│         └── Failed checks? → Do NOT use results
│                            → Run failure_diagnoser.py
│         └── All passed? → Results are valid

Choosing Validation Thresholds

Metric