pytblis 0.0.13

Python bindings for TBLIS, a high performance library for tensor operations

pytblis: Python bindings for TBLIS

Are your einsums too slow?

Need FP64 tensor contractions and can't buy a datacenter GPU because you already maxed out your home equity line of credit?

Set your CPU on fire with TBLIS!

Usage

pytblis.einsum and pytblis.tensordot are drop-in replacements for numpy.einsum and numpy.tensordot.

In addition, low level wrappers are provided for tblis_tensor_add, tblis_tensor_mult, tblis_tensor_reduce, tblis_tensor_shift, and tblis_tensor_dot. These are named pytblis.add, pytblis.mult, et cetera.

Finally, there are mid-level convenience wrappers for tblis_tensor_mult and tblis_tensor_add:

def contract(
    subscripts: str,
    a: ArrayLike,
    b: ArrayLike,
    alpha: scalar = 1.0,
    beta: scalar = 0.0,
    out: Optional[npt.ArrayLike] = None,
    conja: bool = False,
    conjb: bool = False,
) -> ArrayLike

and

def transpose_add(
    subscripts: str,
    a: ArrayLike,
    alpha: scalar = 1.0,
    beta: scalar = 0.0,
    out: Optional[ArrayLike] = None,
    conja: bool = False,
    conjout: bool = False,
) -> ArrayLike

These are used as follows:

C = pytblis.contract("ij,jk->ik", A, B, alpha=1.0, beta=0.5, out=C, conja=True, conjb=False)

does

$$C \gets \overline{A} B + \frac{1}{2} C.$$

B = pytblis.tensor_add("iklj->ijkl", A, alpha=-1.0, beta=1.0, out=B)

does

$$B_{ijkl} \gets B_{ijkl} - A_{iklj}.$$

Some additional documentation (work in progress) is available at pytblis.readthedocs.io.

Limitations

Supported datatypes: np.float32, np.float64, np.complex64, np.complex128. Mixing arrays of different precisions isn't yet supported.

Arrays with negative or zero stride are not supported and will cause pytblis to fall back to NumPy (for einsum and contract) or raise an error (all other functions).

New features

Mixed-complex/real contractions

New in version v0.0.11: pytblis.contract fully supports contractions between complex and/or real tensors of the same floating point precision, provided that alpha and beta are both real. This just contracts the real and imaginary parts separately with TBLIS. It's turned off by default because it's still experimental, but you can enable it in pytblis.contract and pytblis.einsum by passing complex_real_contractions=True. Otherwise, all mixed-type contractions use NumPy.

Installation

I will try to get this package added to conda-forge. In the meantime, conda packages may be downloaded from my personal channel.

conda install pytblis -c conda-forge -c chillenb

The pre-built wheels on PyPI use pthreads for multithreading. To reduce the overhead due to creating and joining threads, compile pytblis yourself and configure it to use OpenMP, or use the conda packages.

pip install pytblis (not as performant)

About OpenBLAS

Don't use OpenBLAS configured with pthreads. It causes oversubscription when used with other multithreaded libraries, in particular anything that uses OpenMP. Instead, use MKL (libblas=*=*mkl) or the OpenMP variant of OpenBLAS (libopenblas=*=*openmp*).

Installation from source

the easy way:

pip install --no-binary pytblis pytblis

The default compile options will give good performance. OpenMP is the default thread model when building from source. You can pass additional options to CMake via CMAKE_ARGS, change the thread model, compile for other CPU microarchitectures, etc.

the hard way:

1. Install TBLIS.
2. Run CMAKE_ARGS="-DTBLIS_ROOT=wherever_tblis_is_installed" pip install .

See dev_install.sh for an example. This script installs TBLIS in ./local_tblis_prefix and then links pytblis against it.

Research

If you use TBLIS in your academic work, it's a good idea to cite:

• High-Performance Tensor Contraction without Transposition
• Strassen's Algorithm for Tensor Contraction

TBLIS is not my work, and its developers are not responsible for flaws in these Python bindings.

Acknowledgements

The implementation of einsum and the tests are modified versions of those from opt_einsum.

pytblis was developed in the Zhu Group, Department of Chemistry, Yale University.