VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Sep 22 2006 - 12:36:44 CDT

Hi,
  Yes, you can recompile your VASP plugins separately
from everything else. If you follow Sung Sakong's instructions
it should still build separately. It would be nice if you could
provide me with a copy of the files you've got that don't load
correctly so I can test them here as well, and update the plugins
if necessary. The only (intentional) changes I made to Sung Sakong's
plugins were small fixes to allow them to compile on all platforms.
If you could put a copy of files that exhibit the problem in
the VMD Public project on BioCoRE, it would be very helpful:
  http://www.ks.uiuc.edu/Research/vmd/alpha/

  John
 
On Thu, Sep 21, 2006 at 08:15:06PM -0700, Rob wrote:
>
> Hi,
>
> I use the precompiled version of 1.8.5 for Linux.
>
> With 1.8.4, I used to compile the VASP plugin
> myself and put it in place where VMD can use it.
>
> Since 1.8.5, reading VASP output files is integrated
> into VMD.
>
> Particular VASP files are the POSCAR and CONTCAR
> files, which contain the structure information.
> With 1.8.4 and the separate plugin, the atomtypes
> are read correctly (atoms/bonds appear in various
> colors). However, with 1.8.5, atomtypes for POSCAR
> and CONTCAR files are not recognized and all appear
> in green (e.g. name/type = 'X').
>
> I'd like to recompile the plugin *ONLY* and replace
> the one which comes with 1.8.5 (without having to
> recompile all the vmd code). This way I hope to
> find out what's wrong with the VASP plugin.
> Is this possible?
>
>
> Very strange: I have removed all the vasp*.so in the
> installation directory; but I can still read VASP
> output files. Somehow, the VASP plugin does not
> depend anymore on the *.so files in plugins-directory.
> Is the VASP plugin now inside the vmd executable?
> (If so, then debuggging the plugin is difficult!).
>
>
> I hope someone can help me.
>
> Rob.
>
>
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-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078