PyLops-MPI - MPI Powered PyLops with mpi4py

PyLops-MPI - MPI Powered PyLops with mpi4py - Published in JOSS (2025)

https://github.com/pylops/pylops-mpi

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MPI-powered PyLops with MPI4Py

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README.md

PyLops-MPI

PyPI version Build status Documentation status OS-support Slack Status DOI

Distributed linear operators and solvers

Pylops-mpi is a Python library built on top of PyLops, designed to enable distributed and parallel processing of large-scale linear algebra operations and computations.

Installation

To install pylops-mpi, you need to have Message Passing Interface (MPI) and optionally Nvidia's Collective Communication Library (NCCL) installed on your system.

  1. Download and Install MPI: Visit the official MPI website to download an appropriate MPI implementation for your system. Follow the installation instructions provided by the MPI vendor.

  2. Verify MPI Installation: After installing MPI, verify its installation by opening a terminal or command prompt and running the following command: mpiexec --version

  3. Install pylops-mpi: Once MPI is installed and verified, you can proceed to install pylops-mpi via pip: pip install pylops-mpi

  4. (Optional) To enable the NCCL backend for multi-GPU systems, install cupy and nccl via pip: pip install cupy-cudaXx nvidia-nccl-cuX

with X=11,12.

Alternatively, if the Conda package manager is used to setup the Python environment, steps 1 and 2 can be skipped and mpi4py can be installed directly alongside the MPI distribution of choice:

conda install -c conda-forge mpi4py X

with X=mpich, openmpi, impi_rt, msmpi. Similarly step 4 can be accomplished using:

conda install -c conda-forge cupy nccl

See the docs (Installation) for more information.

Run Pylops-MPI

Once you have installed the prerequisites and pylops-mpi, you can run pylops-mpi using the mpiexec command.

Here is an example on how to run a python script called <script_name>.py: mpiexec -n <NUM_PROCESSES> python <script_name>.py

Example: A distributed finite-difference operator

The following example is a modified version of PyLops' README_ starting example that can handle a 2D-array distributed across ranks over the first dimension via the DistributedArray object:

```python import numpy as np from pylops_mpi import DistributedArray, Partition

Initialize DistributedArray with partition set to Scatter

nx, ny = 11, 21 x = np.zeros((nx, ny), dtype=np.float64) x[nx // 2, ny // 2] = 1.0

xdist = pylopsmpi.DistributedArray.to_dist( x=x.flatten(), partition=Partition.SCATTER)

Distributed first-derivative

Dop = pylopsmpi.MPIFirstDerivative((nx, ny), dtype=np.float64)

y = Dx

ydist = Dop @ x_dist

xadj = D^H y

xadjdist = Dop.H @ y_dist

xinv = D^-1 y

x0dist = pylopsmpi.DistributedArray(Dop.shape[1], dtype=np.float64) x0dist[:] = 0 xinvdist = pylopsmpi.cgls(Dop, ydist, x0=x0_dist, niter=10)[0] ```

Note that the DistributedArray class provides the to_dist class method that accepts a NumPy array as input and converts it into an instance of the DistributedArray class. This method is used to transform a regular NumPy array into a DistributedArray that is distributed and processed across multiple nodes or processes.

Moreover, the DistributedArray class provides also fundamental mathematical operations, such as element-wise addition, subtraction, multiplication, dot product, and an equivalent of the np.linalg.norm function that operate in a distributed fashion, thus utilizing the efficiency of the MPI/NCC; protocols. This enables efficient computation and processing of large-scale distributed arrays.

Running Tests

The MPI test scripts are located in the tests folder. Use the following command to run the tests: mpiexec -n <NUM_PROCESSES> pytest tests/ --with-mpi where the --with-mpi option tells pytest to enable the pytest-mpi plugin, allowing the tests to utilize the MPI functionality.

Similarly, to run the NCCL test scripts in the tests_nccl folder, use the following command to run the tests: mpiexec -n <NUM_PROCESSES> pytest tests_nccl/ --with-mpi

Documentation

The official documentation of Pylops-MPI is available here. Visit the official docs to learn more about pylops-mpi.

Contributors

  • Rohan Babbar, rohanbabbar04
  • Yuxi Hong, hongyx11
  • Matteo Ravasi, mrava87
  • Tharit Tangkijwanichakul, tharittk

Owner

  • Name: PyLops
  • Login: PyLops
  • Kind: organization

Matrix-Free linear algebra and optimization in Python

JOSS Publication

PyLops-MPI - MPI Powered PyLops with mpi4py
Published
January 07, 2025
Volume 10, Issue 105, Page 7512
Authors
Rohan Babbar ORCID
Cluster Innovation Center, University of Delhi, Delhi, India.
Matteo Ravasi ORCID
Earth Science and Engineering, Physical Sciences and Engineering (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal, Kingdom of Saudi Arabia.
Yuxi Hong ORCID
Lawrence Berkeley National Laboratory, Berkeley, California, United States of America.
Editor
George K. Thiruvathukal ORCID
Tags
MPI High Performance Computing

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pypi.org: pylops-mpi

Python library implementing linear operators with MPI

  • Documentation: https://pylops-mpi.readthedocs.io/
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  • Latest release: 0.3.0
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