QueueWorkerResources¶
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class
openff.evaluator.backends.
QueueWorkerResources
(number_of_threads=1, number_of_gpus=0, preferred_gpu_toolkit=None, per_thread_memory_limit=<Quantity(1, 'gigabyte')>, wallclock_time_limit='01:00')[source]¶ An extended resource object with properties specific to calculations which will run on queue based resources, such as LSF, PBS or SLURM.
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__init__
(number_of_threads=1, number_of_gpus=0, preferred_gpu_toolkit=None, per_thread_memory_limit=<Quantity(1, 'gigabyte')>, wallclock_time_limit='01:00')[source]¶ Constructs a new ComputeResources object.
Notes
Both the requested number_of_threads and the number_of_gpus must be less than or equal to the number of threads (/cpus/cores) and GPUs available to each compute node in the cluster respectively, such that a single worker is able to be accommodated by a single compute node.
- Parameters
per_thread_memory_limit (simtk.Quantity) – The maximum amount of memory available to each thread.
wallclock_time_limit (str) – The maximum amount of wall clock time that a worker can run for. This should be a string of the form HH:MM where HH is the number of hours and MM the number of minutes
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 maximum amount of memory available to each thread, such that the total memory limit will be per_cpu_memory_limit * number_of_threads.
The preferred toolkit to use when running on GPUs.
The maximum amount of wall clock time that a worker can run for.
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property
per_thread_memory_limit
¶ The maximum amount of memory available to each thread, such that the total memory limit will be per_cpu_memory_limit * number_of_threads.
- Type
simtk.Quantity
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property
wallclock_time_limit
¶ The maximum amount of wall clock time that a worker can run for. This should be a string of the form HH:MM where HH is the number of hours and MM the number of minutes
- Type
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class
GPUToolkit
(value)¶ An enumeration of the different GPU toolkits to make available to different calculations.
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property
gpu_device_indices
¶ The indices of the GPUs to run on. This is purely an internal implementation detail and should not be relied upon externally.
- Type
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property
preferred_gpu_toolkit
¶ The preferred toolkit to use when running on GPUs.
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