The job completes even if there is an error in the simulation process because the scheduler at TACC does not care if the backend application completed without a problem or terminated due to an error in the process.
The best way to check what happened is to take a look at the log file that is produced by the workflow. There are two .err and two .out files returned by the application; I can see on the screenshot that both of them are available to you. Please send those files to me in an email (adamzs@stanford.edu) - they will provide more information about what happened and we can start a conversation about how to fix it.