VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Nov 06 2003 - 17:28:49 CST

Ioana,
  You need to redirect the input to VMD in order to run jobs
like that in the background, otherwise the first time that VMD
wants input, the background job will freeze waiting for console
input. Probably the best way to do this is with a command structure
like this:
  vmd -dispdev text -eofexit < zc15Ef.vmd |& tee zc15Ef.out &
or something like
  vmd -dispdev text -eofexit < input.tcl > output.log &
  
VMD will exit when it hits EOF (end of file) on input in this case.

This is mentioned on the command line options documentation page,
but perhaps it deserves more text?
  http://www.ks.uiuc.edu/Research/vmd/current/ug/node189.html

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Nov 06, 2003 at 01:46:19PM -0800, Ioana Cozmuta wrote:
> Hi,
>
> I am trying to run vmd in batch mode. The scripts runs fine if I
> just
> use the following command:
>
> vmd -dispdev text -e zc15Ef.vmd |& tee zc15Ef.out
>
> but stops after a few steps if I use
> vmd -dispdev text -e zc15Ef.vmd |& tee zc15Ef.out &
> or put the command into a pbs script.
>
> I would appreciate your help/suggestions.
> Thanks,
> Ioana 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349              
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