ComputeResources
- class openff.evaluator.backends.ComputeResources(number_of_threads=1, number_of_gpus=0, preferred_gpu_toolkit=GPUToolkit.auto, preferred_gpu_precision=GPUPrecision.mixed)[source]
An object which stores how many of each type of computational resource (threads or gpu’s) is available to a calculation worker.
- __init__(number_of_threads=1, number_of_gpus=0, preferred_gpu_toolkit=GPUToolkit.auto, preferred_gpu_precision=GPUPrecision.mixed)[source]
Constructs a new ComputeResources object.
- Parameters
number_of_threads (int) – The number of threads available to a calculation worker.
number_of_gpus (int) – The number of GPUs available to a calculation worker.
preferred_gpu_toolkit (GPUToolkit, optional) – The preferred toolkit to use when running on GPUs.
preferred_gpu_precision (GPUPrecision, optional) – The preferred precision level to use when runnin on GPUs.
Methods
__init__([number_of_threads, ...])Constructs a new ComputeResources object.
Attributes
The indices of the GPUs to run on.
The number of GPUs available to a calculation worker.
The number of threads available to a calculation worker.
The preferred precision level to use when running on GPUs.
The preferred toolkit to use when running on GPUs.
- class GPUToolkit(value)[source]
An enumeration of the different GPU toolkits to make available to different calculations.
- class GPUPrecision(value)[source]
An enumeration of the different precision for GPU calculations.