From: Ashar Malik (
Date: Wed Dec 20 2017 - 01:38:26 CST

Multiple things to note here:

1) From the look of the submit file you may be aiming to run a non-Graphic
instance. To run just a script -- you need to add some more flags to the
command line to ensure only the script is run (on command line).
so do:

vmd -dispdev text -e run.tcl

2) If I run the shell script I get the display from run.tcl. Which means
(probably) that when you are loading the module -- its not putting vmd in
your path.
So if you give more details on what is not wrking (error details) someone
may give a better answer.

On Wed, Dec 20, 2017 at 6:55 PM, Stephen Thomas <> wrote:

> Hi,
> I am unable to run a tcl from vmd using the -e option. However, this works
> fine if I just run the command directly from bash. Here is a minimal
> example to reproduce the problem.
> Steps to reproduce:
> 1) run
> 2) notice that the output does not contain the text "Running tcl script"
> as seen in run.tcl
> Can anyone suggest what I might be doing wrong?
> Thanks,
> Stephen Thomas.