GNU Parallel for a iteration while loop, nested

Question

I have a piece of code that takes 30 hours on a supercomputer; the admin says it can use only one core at a time. It executes a piece of imaging code through a 60 by 60 matrix, with each iteration (3600 of them) running the zdichi_eps imaging program and writing data to a file. My thought is that the script below can be rewritten using the GNU PARALLEL command, and perhaps using for loops instead of the two while loops. Since I can use up to 64 cores, this would decrease the time signifidcantly I would think. Please take a look and tell me what you think. How would this be changed? Is it possible? Thanks! I would be glad to donate to any cause for the helpful individual for a working version that keeps me from fighting with the datacenter!

set tb = gau_9.tab      # tab file
set target = reformat   # target name (from the command line)
set dte = May2010v1     # date of the run.
set mult1 = 0.7958  # multiplication factor
set mult2 = `echo $mult1 | awk '{printf("%.6f",$1/2)}'`
set inclin = 40       # inclination angle
set vsin = 113.3        # vsini
set aim = 0.03221 # <chisq aim>
set tphot = 5600    # photosphere temperature
set tspot = 4100    # spot temperature
set omega0 = 11.0038    # omega_0; matched to the period
set startx = 10.8   # starting omega_eq
set stepx = 0.01    # step in omega_eq
set nx = 60         # number of datapoint for omega_eq
set starty = 0.0     # starting domega
set stepy = 0.01    # step in domega
set ny = 60     # number of datapoints for domega.
set npts = 30       # number of points used in zdichi_ep        set spec = 
$target.rs
set tab  = $tb
set b1 = $target.b1
set s1 = $target.s1
set out  = $target$aim$dte.out
set map  = $target$aim$dte.m
set junk = $target.dr_junk
set screen = $target.screen.dat
set zdi = $target.zdi.in
set om
set do

set ntot = 0
echo " " > $out 
echo " " > $junk
echo " " > $screen

echo "starting diffrot" > $target.afile

set i = 0 

while ($i < $nx) 
  set omega = `echo $startx $stepx $i | awk '{printf("%.5f",$1+$2*$3)}'`
  echo "Count i, Count ny " $i $ny
  echo "omega : " $omega
  set line
  set j = 0 
  while ($j < $ny) 
    echo "Count J Count ny " $j  $ny
    set domeg = `echo $starty $stepy $j | awk '{printf("%.5f",$1+$2*$3)}'`
    echo "1 delta omega : " $domeg
    set test = `echo $omega $domeg | awk '{tmp = $1-0.361387*$2-4.461019; 
    tmp = sqrt(tmp*tmp); if (tmp < 0.02) print 1; else print 0; }'`
    echo "test value : " $test 
    set test = 1
    if ($test == 0) then
        set spot = 9.000000
        set chi2 = 9.000000
        set testzdi = 9.00000
    else
        set beta  = `echo $omega $omega0 | awk '{printf("%e",1.0-$1/$2)}'`
        set gamma = `echo $domeg $omega0 | awk '{printf("%e",$1/$2)}'`
        echo "test, beta and gamma : " $test $beta $gamma
        echo "22 sending data to zdichi via diffrot2"
        echo "33 The data sent :" $vsin $spec $tab $mult1 $beta $aim $gamma $mult2 >> $screen

        # setting up the input file for zdichi_eps

        echo n > $zdi
        echo n >> $zdi
        echo 5000 $inclin $vsin >> $zdi
        echo n >> $zdi
        echo 1 >> $zdi
        echo $tphot $tspot >> $zdi
        echo $beta $gamma >> $zdi
        echo $spec >> $zdi
        echo $tab >> $zdi
        echo $mult1 $mult2 >> $zdi
        echo y >> $zdi
        echo 1.0 >> $zdi
        echo 1 >> $zdi
        echo y >> $zdi
        echo 1 >> $zdi
        echo $aim $npts >> $zdi
        echo $b1 >> $zdi
        echo y >> $zdi
        echo $s1 >> $zdi

        # finished setting up the input file for zdichi_eps

        /home/zdichi_eps < $zdi >> $out
        echo "44 finished with zdichi" 
        @ ntot++ 
        set chi2 = `tail -20 $out | grep '<29>' | awk '{printf("%.6f", $3)}'`
        set spot = `tail -20 $out | grep '<29>' | awk '{printf("%.6f", $5)}'`
        set testzdi = `tail -20 $out | grep '<29>' | awk '{printf("%.6f", $6)}'`
        echo "55 The returned values were: " $omega $domeg $test $chi2 $spot $testzdi >> $screen
    endif   

    if ($i == 0) then 
        set do = `echo $do $domeg`
    endif

    set line = `echo $line $chi2`
    @ j++

  end
  set om = `echo $om $omega`
  echo $line >> $junk
  @ i++
end

Answer 1

Fastest way to parallelize this kind of things:

1. Write all parameter files reformat.zdi.${i}_${j}.in
2. Call your program on every file through parallel

e.g. this:

#!/bin/bash
for f in ./reformat.zdi.*.in ;do
    echo "/home/zdichi_eps < $f > ${f%.in}.out"
done | parallel -j64

Answer 2

In Bash the preferred way would be to make a function that takes $i and $j as parameters:

do_zdichi() {
  i="$1"
  j="$2"
  [set all variables here]
  /home/zdichi_eps < $zdi >> $out
  [postprocess output]
}
export -f do_zdichi
eval parallel do_zdichi ::: {0..$nx} ::: {0..$ny}

You just need to make sure in the function that any file name you write to has a unique name (e.g. output.$i.$j is fine, but myoutput is not), so it is not overwritten by another process running in parallel.