schrodinger.application.desmond.memory module¶
Utilities for memory estimation and benchmarking
Copyright Schrodinger, LLC. All rights reserved.
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schrodinger.application.desmond.memory.
estimate_memory
(natoms: int) → int¶ Param: Number of atoms in the system Returns: GPU memory usage in bytes
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class
schrodinger.application.desmond.memory.
MemoryGauger
¶ Bases:
object
Gauge the memory usage of the process. Use example: .. highlight:
mem_gauger = MemoryGauger() # Point 1 # code that uses a lot memory. ... mem_usage = mem_gauger.mem_usage() # Memory usage change since Point 1.
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__init__
()¶ Initialize self. See help(type(self)) for accurate signature.
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mem_usage
() → float¶ Returns the change of the memory usage (in MB) of this process since the creation of this
MemoryGauger
instance.
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