schrodinger.application.desmond.memory module

Utilities for memory estimation and benchmarking

Copyright Schrodinger, LLC. All rights reserved.

schrodinger.application.desmond.memory.estimate_memory(natoms: int) → int[source]
Param

Number of atoms in the system

Returns

GPU memory usage in bytes

class schrodinger.application.desmond.memory.MemoryGauger[source]

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.
__init__()[source]

Initialize self. See help(type(self)) for accurate signature.

mem_usage() → float[source]

Returns the change of the memory usage (in MB) of this process since the creation of this MemoryGauger instance.