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I am trying to write a bash script that can iterate through two folders, and run the files into a python program. The python program takes two input files (corresponding ones from each folder) and outputs a single file.

It looks a bit like this:

folder 1/
    Run_1.out
    Run_2.out
    Run_3.out
    ...
folder 2/
    Sym_1.g0.out
    Sym_2.g0.out
    Sym_3.g0.out
    ...

The python program takes in corresponding inputs (e.g. Run_1.out and Sym_1.g0.out) and outputs a file as such:

    NOCI.py Run_1.out Sym_1.g0.out outputfile

The python program works fine when used via the terminal with a single pair of files, but since I've got 360 pairs I figured I should use a script. So far I've tried writing two for loops, but it doesn't seem to work:

    #!/bin/bash
    FILE1=*.out
    FILE2=*.g0.out
    for i in $FILE1
    do
        for j in $FILE2
            do
                NOCI.py $i $j ${i}_${outputfile}
        done
    done
  • Shouldn't you specify the directory name when you define the files in FILE1 and FILE2? – unxnut Sep 7 '18 at 17:22
  • Hi and welcome. Is the second file always named the same as the first file, substituting Run with Sym? – Andy Dalton Sep 7 '18 at 17:25
  • @unxnut: yes the directory names are specified - just didn't include them in the example! – Plasmid Sep 7 '18 at 18:14
  • @AndyDalton: they are both .out files, but are located in the different directories. I could change the file names if that's an issue! – Plasmid Sep 7 '18 at 18:15
1

Matching folder 1/Run_1.out to folder 2/Sym_1.g0.out, and so on for 360 pairs:

for n in {1..360}
do
    NOCI.py "folder 1/Run_$n.out" "folder 2/Sym_$n.g0.out" outputfile
done

Or if the paired files are not in sequential order, you can pick off the Run_N.out files and associate a corresponding Sym_N.g0.out file:

for r in "folder 1/Run_"*.out
do
    n="${r#folder 1/Run_}"; n="${n%.out}"
    s="folder 2/Sym_$n.out"
    NOCI.py "$r" "$s" outputfile
done
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With GNU Parallel you can do this:

parallel NOCI.py {1} {2} {1.}{2.}.output ::: Folder1/* ::: Folder2/*

It will default to run one job per CPU thread in parallel.

To see what will be run use --dry-run:

parallel --dry-run NOCI.py {1} {2} {1.}{2.}.output ::: Folder1/* ::: Folder2/*

GNU Parallel is a general parallelizer and makes is easy to run jobs in parallel on the same machine or on multiple machines you have ssh access to.

If you have 32 different jobs you want to run on 4 CPUs, a straight forward way to parallelize is to run 8 jobs on each CPU:

Simple scheduling

GNU Parallel instead spawns a new process when one finishes - keeping the CPUs active and thus saving time:

GNU Parallel scheduling

Installation

For security reasons you should install GNU Parallel with your package manager, but if GNU Parallel is not packaged for your distribution, you can do a personal installation, which does not require root access. It can be done in 10 seconds by doing this:

(wget -O - pi.dk/3 || curl pi.dk/3/ || fetch -o - http://pi.dk/3) | bash

For other installation options see http://git.savannah.gnu.org/cgit/parallel.git/tree/README

Learn more

See more examples: http://www.gnu.org/software/parallel/man.html

Watch the intro videos: https://www.youtube.com/playlist?list=PL284C9FF2488BC6D1

Walk through the tutorial: http://www.gnu.org/software/parallel/parallel_tutorial.html

Read the book: https://doi.org/10.5281/zenodo.1146014

Sign up for the email list to get support: https://lists.gnu.org/mailman/listinfo/parallel

0

zsh would be more suited than bash for this kind of task:

#! /bin/zsh -
files1=(1/*.out(n)) files2=(2/*.go.out(n))
for f1 f2 (${files1:^files2}) NOCI.py $f1 $f2 3/$f1:t:r+$f2:t
  • (n) sorts the globs numerically so they are processed in numerical order (where Run_10 comes between Run_9 and Run_11 instead of between Run_1 and Run_2 without it).
  • ${array1:^array2}: zips two arrays
  • $file:t: tail part of the file (base name)
  • $filr:r: root part (remove extension).

So we end up running:

NOCI.py 1/Run_1.out 2/Sym_1.g0.out 3/Run_1+Sym_1.g0.out
NOCI.py 1/Run_2.out 2/Sym_2.g0.out 3/Run_2+Sym_2.g0.out
...

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