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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