用python进行作业控制

Question

I am trying to use python for job control. With bash, the bash script would look like:

i=0

for mu_Li in `seq -17 0.1 -14`  
do mkdir mu_$mu_Li
cp mc.x POSCAR BCLUST CLUST CSPECS  configuration  factor_group FBCLUST FCLUST point_group  PRIM mc_input configuration.corr  eci.in reference relax.log SCEL eci.out mu_$mu_Li
#cp ../POSCAR mu_$mu_Li\_$mu_Ni/POSCAR
 cd mu_$mu_Li
 sed -i "s/^\(Na \)[0-9-][.0-9-]*\(.*mu init\)/\1${mu_Li}\2/" mc_input

 sed -i "s/^\(Na \)[0-9-][.0-9-]*\(.*mu min\)/\1${mu_Li}\2/" mc_input

 sed -i "s/^\(Na \)[0-9-][.0-9-]*\(.*mu max\)/\1${mu_Li}\2/" mc_input

 ./mc.x 2>&1 > /dev/null  &
 cd ..

i=$((i+1))
if (( $i % 16 == 0 ))   
then 
wait
rm mu_*/MCLUST[0-9] mu_*/configuration*  mu_*/FBCLUST  mu_*/*CLUST mu_*/mc.x
fi
done
wait

The key is that I want to use all available cores to run multiple ./mc.x 2>&1 > /dev/null & and use wait in background. Should I just make everything into a string in python like:

    COMMAND = r"""line1;line2;line3;etc."""
    subprocess.Popen(COMMAND, shell=True).communicate(input=None)

Answer 1

Here is a sketch of how to use subprocess to spawn multiple background processes and then wait for them. In this example each process is just sleeping.

import subprocess
p1 = subprocess.Popen(['sleep', '1'])
p2 = subprocess.Popen(['sleep', '2'])

# Wait for all processes to complete and get list of return codes
rcs = [p.wait() for p in (p1, p2)]

For more information, see the documentation .