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Re: [modeller_usage] Multiple CPUs



On 6/30/20 12:27 PM, Casey Becker via modeller_usage wrote:
I'm trying to use modeller directly through python's IDLE interface to run a parallel job. I've attached my script and also the python core file that's created up to a point, because it stops before it actually makes the models. Three files with .slave0, .slave1, and .slave2 are created, but when edited with notepad, show an error. I've attached one of them as well. Thanks.

You have two problems here:

1. You are using a custom subclass (MyModel) rather than the default automodel class. That won't work due to limitations of the Python pickle module. Either replace MyModel with automodel (seems the most straightforward option since you're not adding any extra functionality); or put the MyModel definition in a different file and import it - see MyTask in parallel-task.py and mytask.py in Modeller's examples/python directory for an example.

2. Modeller has a bug which means that parallel tasks don't work if Modeller is installed in a directory containing spaces (and the default location on Windows, under C:\Program Files\, does contain a space). There's a fix for that at https://salilab.org/modeller/wiki/Patches.

	Ben Webb, Modeller Caretaker
--
             https://salilab.org/modeller/
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