I would like to use coarse-grained parallelization with automodel (through slurm) to create (say) 100 models. As Modeller is deterministic, even if I start a job array with different model numbers, each separate job creates the same models. So, for example, if I start job using 4 different python scrips with model ids 0-24, 25-49,50-74, and 75-99, I will get 4 sets of identical models. How can I turn off this deterministic behavior? With thanks, Jed
. . Jed Goldstone, PhD Biology Department Woods Hole Oceanographic Institution
On 5/16/24 12:15 PM, Jed Goldstone via modeller_usage wrote: > I would like to use coarse-grained parallelization with automodel > (through slurm) to create (say) 100 models. As Modeller is > deterministic, even if I start a job array with different model numbers, > each separate job creates the same models. So, for example, if I start > job using 4 different python scrips with model ids 0-24, 25-49,50-74, > and 75-99, I will get 4 sets of identical models. How can I turn off > this deterministic behavior?
Set a different random seed for each job: https://salilab.org/modeller/10.5/manual/node117.html
Ben Webb, Modeller Caretaker
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Jed Goldstone -
Modeller Caretaker