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Lightning-Kokkos installation

Standard installation

On most Linux systems, Lightning-Kokkos can be installed by following our installation instructions at pennylane.ai/install.

Install Lightning-Kokkos from source

Note

The section below contains instructions for installing Lightning-Kokkos from source. For most cases, one can install Lightning-Kokkos via Spack or Docker by the installation instructions at pennylane.ai/install. If those instructions do not work for you, or you have a more complex build environment that requires building from source, then consider reading on.

As Kokkos enables support for many different HPC-targeted hardware platforms, lightning.kokkos can be built to support any of these platforms when building from source.

Install Kokkos (Optional)

We suggest first installing Kokkos with the wanted configuration following the instructions found in the Kokkos documentation. For example, the following will build Kokkos for NVIDIA A100 cards:

Download the Kokkos code. Lightning-Kokkos was tested with Kokkos version <= 4.5.0

# Replace x, y, and z by the correct version
wget https://github.com/kokkos/kokkos/archive/refs/tags/4.x.yz.tar.gz
tar -xvf 4.x.y.z.tar.gz
cd kokkos-4.x.y.z

Build Kokkos for NVIDIA A100 cards (SM80 architecture), and append the install location to CMAKE_PREFIX_PATH.

# Replace <install-path> with the path to install Kokkos
# e.g. $HOME/kokkos-install/4.5.0/AMPERE80
export KOKKOS_INSTALL_PATH=<install-path>
mkdir -p ${KOKKOS_INSTALL_PATH}

cmake -S . -B build -G Ninja \
    -DCMAKE_BUILD_TYPE=RelWithDebugInfo \
    -DCMAKE_INSTALL_PREFIX=${KOKKOS_INSTALL_PATH} \
    -DCMAKE_CXX_STANDARD=20 \
    -DBUILD_SHARED_LIBS:BOOL=ON \
    -DBUILD_TESTING:BOOL=OFF \
    -DKokkos_ENABLE_SERIAL:BOOL=ON \
    -DKokkos_ENABLE_CUDA:BOOL=ON \
    -DKokkos_ARCH_AMPERE80:BOOL=ON \
    -DKokkos_ENABLE_EXAMPLES:BOOL=OFF \
    -DKokkos_ENABLE_TESTS:BOOL=OFF \
    -DKokkos_ENABLE_LIBDL:BOOL=OFF
cmake --build build && cmake --install build
export CMAKE_PREFIX_PATH=:"${KOKKOS_INSTALL_PATH}":$CMAKE_PREFIX_PATH

Note that the C++20 standard is required (enabled via the -DCMAKE_CXX_STANDARD=20 option), hence CUDA 12 is required for the CUDA backend.

Install Lightning-Kokkos

If an installation of Kokkos is not found, then our builder will automatically clone and install it during the build process. Lightning-Qubit needs to be ‘installed’ by pip before Lightning-Kokkos (compilation is not necessary).

The simplest way to install Lightning-Kokkos (OpenMP backend) through pip.

git clone https://github.com/PennyLaneAI/pennylane-lightning.git
cd pennylane-lightning
pip install -r requirements.txt
pip install git+https://github.com/PennyLaneAI/pennylane.git@master

# Lightning-Qubit needs to be 'installed' by pip before Lightning-Kokkos
# (compilation is not necessary)
PL_BACKEND="lightning_qubit" python scripts/configure_pyproject_toml.py
SKIP_COMPILATION=True pip install -e . --config-settings editable_mode=compat

# Install Lightning-Kokkos with OpenMP backend
PL_BACKEND="lightning_kokkos" python scripts/configure_pyproject_toml.py
CMAKE_ARGS="-DKokkos_ENABLE_OPENMP=ON" python -m pip install -e . --config-settings editable_mode=compat -vv

The supported backend options are

SERIAL

OPENMP

THREADS

HIP

CUDA

and the corresponding build options are -DKokkos_ENABLE_XYZ=ON, where XYZ needs be replaced by the backend name, for instance OPENMP.

One can simutaneously activate one serial, one parallel CPU host (e.g. OPENMP, THREADS) and one parallel GPU device backend (e.g. HIP, CUDA), but not two of any category at the same time. For HIP and CUDA, the appropriate software stacks are required to enable compilation and subsequent use. Similarly, the CMake option -DKokkos_ARCH_{...}=ON must also be specified to target a given architecture. A list of the architectures is found on the Kokkos wiki. Note that THREADS backend is not recommended since Kokkos does not guarantee its safety.

Install Lightning-Kokkos with MPI

Note

Building Lightning-Kokkos with MPI requires an MPI library and mpi4py. If building for GPU, please ensure that MPI is built with GPU support - for example, see the guide to build OpenMPI with CUDA and ROCm support.

To install Lightning-Kokkos with MPI support, we recommend first installing Kokkos for your specific architecture such as CPU (SERIAL, OPENMP), Nvidia GPU (CUDA), or AMD GPU (HIP) and exporting the install location to CMAKE_PREFIX_PATH as described above. Then Lightning-Kokkos with MPI support can be installed in the editable mode by adding the ENABLE_MPI=ON option to the CMake arguments:

git clone https://github.com/PennyLaneAI/pennylane-lightning.git
cd pennylane-lightning
pip install -r requirements.txt
pip install git+https://github.com/PennyLaneAI/pennylane.git@master

# Lightning-Qubit needs to be 'installed' by pip before Lightning-Kokkos
# (compilation is not necessary)
PL_BACKEND="lightning_qubit" python scripts/configure_pyproject_toml.py
SKIP_COMPILATION=True pip install -e . --config-settings editable_mode=compat

# Install Lightning-Kokkos with MPI support
PL_BACKEND="lightning_kokkos" python scripts/configure_pyproject_toml.py
CMAKE_ARGS="-DENABLE_MPI=ON" python -m pip install -e . --config-settings editable_mode=compat -vv

If required, extra linker flags for MPI (e.g. for GPU Transport Layer) can be added using the MPI_EXTRA_LINKER_FLAGS environment variable, for example:

# Optional and system dependent
export MPI_EXTRA_LINKER_FLAGS="-lxpmem -L/opt/cray/pe/mpich/8.1.31/gtl/lib -lmpi_gtl_hsa"

For an example of how to install Lightning-Kokkos with MPI on an HPC system, check out the Lightning-Kokkos installation on HPC page

Test Lightning-Kokkos with MPI

After installing Lightning-Kokkos with MPI, you can test the Python layer of the MPI enabled plugin as follows (Lightning-Qubit must be installed as well):

pip install -r requirements-tests.txt
PL_DEVICE="lightning_kokkos" mpirun -np 2 python -m pytest mpitests --tb=short

To compile and test the C++ code, you can use the following command:

PL_BACKEND="lightning_kokkos" make test-cpp-mpi

By default this will compile Kokkos with SERIAL backend. If using a different pre-compiled Kokkos backend, you can export the environment variable CMAKE_PREFIX_PATH with the Kokkos install location.

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