Installation

Installation#

Sequential Solver#

Please ensure the following required packages are installed with Python 3.10 or higher for optimal performance:

  • numpy

  • pyFFTW (for CPU-based FFT)

  • cupy (for GPU support)

  • h5py

Make sure cupy is installed for the available cuda version. For example,

pip3 install numpy pyFFTW h5py cupy-cuda12x

Parallel solver#

To utilize the parallel solver, ensure all dependencies are installed.

MPI4PY Installation#

For mpi4py, ensure CUDA-aware OpenMPI is installed. Then run:

CC=mpicc pip install mpi4py

Parallel HDF5 Installation#

Download and build Parallel HDF5 from the HDF5 official site:

./configure --enable-parallel --enable-shared --prefix=<installation_path>
make
make check
make install

h5py with MPI Support#

To install h5py with MPI support:

CC='mpicc' HDF5_MPI='ON' HDF5_DIR=<installation_path> pip install --no-binary=h5py h5py

FFT setup#

To build the bindings for FFT make sure the package pybind11 is installed and add the path to CUDA-aware OpenMPI where specified with the placeholders:

CPLUS_INCLUDE_PATH=<installation_path>/include nvcc -shared -std=c++14 -Xcompiler -fPIC $(python3 -m pybind11 --includes) start.cu -o my_fft$(python3-config --extension-suffix) -L <installation_path>/lib -lmpi -lcufft -Xptxas -O3 --disable-warnings
Contents