Why not use Gamess (US)? Avogadro can create an inputfile for
Gamess. Gamess (and cfour) run on clusters. sincerely, Thorsten On Fri, Mar 9, 2012 at 1:28 PM, Ray Sheppard <rshep...@indiana.edu> wrote:Hello Avogadro Development folks, I recently installed Avogadro on a supercomputer for the School of Pharmacology. These machines work within a batch job environment. I was asked: "can you please tell me the command to execute avogadro without graphics?"I don't think this is possible with Avogadro -- AFAIK we never anticipated a use case that wouldn't need the display. What do they need to do in avogadro without graphics?It may be possible to accomplish what they need with some of the openbabel command-line tools? See http://openbabel.org/wiki/Guides Hope this helps, Dave ------------------------------------------------------------------------------ Virtualization & Cloud Management Using Capacity Planning Cloud computing makes use of virtualization - but cloud computing also focuses on allowing computing to be delivered as a service. http://www.accelacomm.com/jaw/sfnl/114/51521223/ _______________________________________________ Avogadro-devel mailing list Avogadro-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-devel |
------------------------------------------------------------------------------ Virtualization & Cloud Management Using Capacity Planning Cloud computing makes use of virtualization - but cloud computing also focuses on allowing computing to be delivered as a service. http://www.accelacomm.com/jaw/sfnl/114/51521223/
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