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From Jeff <jkinn...@nd.edu>
Subject Trying to Set Up Molecular Dynamics Workflow
Date Mon, 23 May 2016 15:47:48 GMT
Hi all,

I'm trying to get a Molecular Dynamics workflow up and running for 
testing purposes for my GSoC project, and have run into the issue 
(again) where experiments will get to executing status and never complete.

I had a similar issue last week related to trying to run with the LOCAL 
job submission protocol, but that was fixed by switching to SSH. With my 
current setup, I can run jobs that do not require external scripts 
(e.g., echo <some string>), but when I try to run any kind of script the 
experiment never completes.

Unfortunately, no errors are being reported in any of my logs and no 
output is being generated from the experiment itself (great for 
debugging), but my hunch is that files are not being transferred 
correctly, meaning that the experiment never actually runs.

I've attached screenshots of how I'm setting up the application, so 
hopefully something sticks out as misconfigured. The first shows my 
config for the application input that will accept the script, and the 
second shows the application deployment.

Thanks for all of the help so far, and for helping out with this now.

Jeff K.

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