I am encountering an oddity in attempting to do multiple serial cpptraj
jobs on a given node. The problem is either inherent to my script
choices or inherent to cppraj. I feel relatively confident the script is
right (he said before falling)...such that I am wondering if there is an
element to summoning cpptraj that I do not understand. I know some
softwares have locking mechanisms to prevent multiple serial spawns.
My script contents are as follows:
cd Run_1
cp ../analysis.ptraj ./
aprun -n 1 cpptraj -i analysis.ptraj &
cd ../
cd Run_2
cp ../analysis.ptraj ./
aprun -n 1 cpptraj -i analysis.ptraj &
Wait
I have modified this slightly; it actually goes over 16 jobs to use a
full node, but you get the picture. When I examine my files associated
with the jobs, /nominally/ 16 jobs have started in that the job record
indicates
[1] job ID #
[2] job ID #
etc.
But the actual execution of the task of analysis.ptraj is done
sequentially, directory by directory, rather than simultaneously.
--
Dr. Robert Molt Jr.
r.molt.chemical.physics.gmail.com
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Received on Sat Jan 16 2016 - 09:00:03 PST
