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vvoelz / biceps

Bayesian inference of conformational populations
https://github.com/vvoelz/biceps
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Parallel lambdas #61

Closed robraddi closed 4 years ago

robraddi commented 4 years ago

Checkout this python module Multiprocessing. Here is an example.

robraddi commented 4 years ago

Preliminary tests:

parallel_lambda_test_for_biceps.py

Number of Lambdas: 3; Number of Steps: 100000000

Regular Python For Loop
time: 17sec

Starting a loop of processes (one for each lambda)
time: 6 sec

Next step is to implement into runme.py.

This should be a nice addition for BICePs 2.0, and could possibly be applied to BICePs 3.0 for parallel replicas.

robraddi commented 4 years ago

See https://github.com/vvoelz/biceps/blob/2to3/BICePs_2.0/2to3_conversion_test_02_09_2020/mp_lambdas.py