nek5000reader 0.1.1

A Python library for reading and processing Nek5000 simulation files

Nek5000 Reader

A high-performance Python library for reading and processing Nek5000 simulation files. Supports both serial and MPI-parallel reading with optimized memory-mapped I/O.

Features

• 🚀 Fast I/O: Memory-mapped file reading for efficient data access
• 🔄 MPI Support: Parallel reading with automatic block distribution
• 📊 Complete Data Access: Read coordinates, connectivity, and all field variables
• 🎯 2D/3D Support: Handles both 2D and 3D meshes seamlessly
• 🔧 Flexible: Support for single/double precision and different endianness
• ✅ Well-Tested: Comprehensive test suite with 30+ tests

Installation

From PyPI (when published)

pip install nek5000reader

From Source

git clone https://github.com/mvictoras/nek5000reader.git
cd nek5000reader
pip install -e .

Dependencies

• Python 3.9+
• NumPy
• mpi4py
• MPI implementation (OpenMPI, MPICH, etc.)

Quick Start

Serial Reading

from nek5000reader import Nek5000Reader

# Initialize reader
reader = Nek5000Reader("simulation.nek5000")

# Get dataset information
info = reader.get_info()
print(f"Number of blocks: {info['num_blocks']}")
print(f"Number of timesteps: {info['num_timesteps']}")

# Read a timestep
data = reader.read_timestep(0)

# Access data
coords = data['coordinates']          # Shape: (num_vertices, 3)
connectivity = data['connectivity']   # 1D array for VTK-style connectivity
velocity = data['fields']['Velocity'] # Flat array: [Vx..., Vy..., Vz...]
pressure = data['fields']['Pressure'] # Shape: (num_vertices,)

MPI Parallel Reading

from mpi4py import MPI
from nek5000reader import Nek5000Reader

# Initialize with MPI communicator
comm = MPI.COMM_WORLD
reader = Nek5000Reader("simulation.nek5000", comm=comm)

# Each rank reads its portion of the data
data = reader.read_timestep(0)

# Process local data
local_coords = data['coordinates']
print(f"Rank {comm.Get_rank()}: {local_coords.shape[0]} vertices")

Reading Multiple Timesteps

reader = Nek5000Reader("simulation.nek5000")

# Get list of available timesteps
timesteps = reader.get_timestep_list()

# Read specific range (start:end:stride)
timesteps = reader.get_timestep_list("0:100:10")  # Every 10th timestep

# Process all timesteps
for step in timesteps:
    data = reader.read_timestep(step)
    # Process data...

Testing

The test suite includes both serial and MPI tests.

Run Serial Tests

pytest tests/test_reader.py -v

Run MPI Tests

# With 2 MPI ranks
mpiexec -n 2 pytest tests/mpi/test_mpi_reader.py -v

# With 4 MPI ranks
mpiexec -n 4 pytest tests/mpi/test_mpi_reader.py -v

Run All Tests with Coverage

# Serial tests with coverage
pytest tests/test_reader.py -v --cov=nek5000reader --cov-report=html

# MPI tests with coverage
mpiexec -n 2 pytest tests/mpi/test_mpi_reader.py -v --cov=nek5000reader

API Reference

Nek5000Reader

Main class for reading Nek5000 files.

Methods:

• __init__(nek5000_file, comm=None): Initialize reader
• read_timestep(step, read_mesh=True): Read a single timestep
• get_timestep_list(step_range=None): Get list of timesteps to process
• get_info(): Get dataset information

Returns from read_timestep():

{
    'coordinates': np.ndarray,      # (num_vertices, 3)
    'connectivity': np.ndarray,     # 1D array
    'fields': {
        'Velocity': np.ndarray,     # Flat: [Vx..., Vy..., Vz...]
        'Velocity Magnitude': np.ndarray,
        'Pressure': np.ndarray,
        'Temperature': np.ndarray,
        # ... other fields
    },
    'time': float,
    'cycle': int,
    'metadata': dict
}

File Format

The reader expects:

• A .nek5000 control file containing metadata
• Corresponding data files (e.g., prefix0.f00000, prefix0.f00001, ...)

Example .nek5000 file:

filetemplate: prefix%01d.f%05d
firsttimestep: 0
numtimesteps: 100

Performance Tips

1. Use MPI for large datasets: Distribute blocks across ranks for parallel I/O
2. Skip mesh reading when not needed: Use read_mesh=False for subsequent timesteps
3. Memory-mapped I/O: The reader uses np.memmap for efficient data access
4. Batch processing: Process multiple timesteps in a single run

Contributing

Contributions are welcome! Please:

1. Fork the repository
2. Create a feature branch
3. Add tests for new functionality
4. Ensure all tests pass
5. Submit a pull request

License

BSD 3-Clause License. See LICENSE for details.

Citation

If you use this library in your research, please cite:

@software{nek5000reader,
  author = {Mateevitsi, Victor},
  title = {Nek5000 Reader: A Python Library for Nek5000 Data},
  year = {2025},
  url = {https://github.com/mvictoras/nek5000reader}
}

Acknowledgments

This library was developed for efficient post-processing of Nek5000 CFD simulations.

Test Data

Test data files in tests/data/ are from the pymech-test-data repository (GPL-3.0 licensed). See tests/data/ATTRIBUTION.md for details.