From: John Stone (
Date: Thu Jun 29 2017 - 13:08:52 CDT

  You can simply install VMD into a subdirectory of your home
directory, project, or scratch space and run it from there. There's no
need to have it installed in the normal /usr/local/xxxx area.
If you follow the steps in the README that describe how to modify
the installation location, you should be all set. The VMD startup scripts
included should already recognize the Blue Waters batch system environment
variables so it will do the right thing whether you are running on a
login node (no MPI), or in a batch job (MPI). If you need further
assistance getting it installed, let me know. Worst case if you have
any trouble you just could run one of my installations there also.

  John Stone

On Thu, Jun 29, 2017 at 10:09:46AM -0600, Jaime Guevara wrote:
> Hi,
> I would like to know how to exactly run VMD on Blue Waters. I noticed
> there was a download version for it, but as far as being able to configure
> the bin and lib paths for it does not seem possible as I do not have
> access or permission to the root. If there is an alternative it'd be much
> appreciated, as I would like to be able to render simulations if possible.
> Thanks,
> Jaime Guevara

NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
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