fz

FZ - Parametric Scientific Computing Framework

A powerful Python package for parametric simulations and computational experiments. FZ wraps your simulation codes to automatically run parametric studies, manage input/output files, handle parallel execution, and collect results in structured DataFrames.

Table of Contents

• Features
• Installation
• Quick Start
• CLI Usage
  • Argument Formats
  • fzi - Parse Input Variables
  • fzc - Compile Input Files
  • fzo - Read Output Files
  • fzl - List and Validate Models/Calculators
  • fzr - Run Parametric Calculations
  • fzd - Design of Experiments
  • fz install / uninstall
• Core Functions
• Model Definition
  • Variable Default Values
  • Old Funz Syntax Compatibility
  • Formula Evaluation
• Calculator Types
  • Local Shell Execution
  • SSH Remote Execution
  • SLURM Workload Manager
  • Funz Server Execution
  • Cache Calculator
  • Calculator-Model Compatibility
• Advanced Features
  • Parallel Execution
  • Retry Mechanism
  • Caching Strategy
  • Output Type Casting
  • Progress Callbacks
• Complete Examples
  • Interactive Jupyter Notebooks
• Writing Custom Algorithms for fzd
• Configuration
  • Environment Variables
  • Shell Path Configuration
  • Timeout Configuration
• Interrupt Handling
• Breaking Changes
• Development
• Troubleshooting
• Performance Tips
• Documentation
• Support

Features

Core Capabilities

• 🔄 Parametric Studies: Factorial designs (dict with Cartesian product) or non-factorial designs (DataFrame with specific cases)
• ⚡ Parallel Execution: Run multiple cases concurrently across multiple calculators with automatic load balancing
• 💾 Smart Caching: Reuse previous calculation results based on input file hashes to avoid redundant computations
• 🔁 Retry Mechanism: Automatically retry failed calculations with alternative calculators
• 🌐 Remote Execution: Execute calculations on remote servers via SSH with automatic file transfer
• 📊 DataFrame I/O: Input and output using pandas DataFrames with automatic type casting and variable extraction
• 🛑 Interrupt Handling: Gracefully stop long-running calculations with Ctrl+C while preserving partial results
• 🔍 Formula Evaluation: Support for calculated parameters using Python or R expressions
• 📁 Directory Management: Automatic organization of inputs, outputs, and logs for each case
• 🎯 Adaptive Algorithms: Iterative design of experiments with intelligent sampling strategies (fzd)
• ⚠️ Error Reporting: Protocol-specific error classification with descriptive messages recorded in results
• 🖥️ Cross-Platform: Works on Linux, macOS, and Windows (MSYS2/Git Bash) with configurable shell paths

Six Core Functions

1. fzi - Parse Input files to identify variables
2. fzc - Compile input files by substituting variable values
3. fzo - Parse Output files from calculations
4. fzr - Run complete parametric calculations end-to-end
5. fzd - Run iterative Design of experiments with adaptive algorithms
6. fzl - List and validate installed models and calculators

Installation

Using pip

pip install funz-fz

Using pipx (recommended for CLI tools)

pipx install funz-fz