Dear all,
I wounder to ask some suggestions about possibility to improve my launch
script aimed on the running of several similations.
e.g my current protocol use simple looping over the dir with the
simulations to run sh file in each folder which is call for the pmemd etc
for each system
#!/bin/bash
# set workdir with proteins
dirr=/home/gleb/Documents/script
simulations=/home/gleb/Documents/script/Simulations
#run each simulation
for sim in $simulations/* ; do
simulation=$(basename "$sim")
echo "Simulation of ${simulation} is in a progress!"
cd $sim
chmod +x ./${simulation}.Sh
./${simulation}.Sh
echo "Simulation of ${simulation} has been finished"
done
how this script can be improved to i) avoid call sh from the another sh?
ii) to run several jobs in parallel corresponded to the number of available
GPU of my workstation ?
Thanks for help,
James
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Received on Fri Sep 26 2014 - 03:00:03 PDT
