snakemake-parallel-test

This repo contains a not fully working example of an attempt to parallelize parts of a SnakeMake pipeline. The intention is the following:

1. a rule first_rule with one input and one output
2. a rule second_rule that takes the output from first_rule as input and, in turn, produces a directory full of files as output
3. a rule third_rule in which the files in the output of 2. are processed, one at a time, by a script that is run in parallel as many times as specified by the -j 4 parameter. That script produces one output for its input.
4. a rule fourth_rule that continues with the output from 3, and which also invokes a script that takes one input and produces one output, again in parallel
5. a rule final_rule that is invoked after rule 4. that takes the directory as input and that aggregates all outputs in that directory in a single operation, i.e. not parallel.

In the current implementation the following things work:

• multiple outputs are produced by second_rule
• the outputs are processed in parallel by third_rule and fourth_rule
• the multiple outputs are merged by final_rule
• a DAG figure is computed correctly, as shown below

The approach uses the scatter/gather idiom. It has a number of drawbacks:

• the intermediate rules that process in parallel cannot be invoked individually. Instead an error about Target rules may not contain wildcards. is triggered.
• the names of the intermediate files now have {i}-of-{n} parts in their name, which are hardcoded in the {scatteritem} variable by the scatter/gather functionality (some string processing would fix this)
• the number of items to scatter needs to be predefined by scattergather.split in the Snakefile (it seems possible to generate this dynamically, though)