VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Sep 25 2006 - 06:23:48 CDT

Rob,
  If you recompile the VASP plugins after _updating their
internal version numbers_ VMD will indeed load them...
Try cranking the minor version numbers on your plugins,
then recompile, and VMD should load your new ones just fine.

  John

On Mon, Sep 25, 2006 at 03:45:15AM -0700, Rob wrote:
>
> --- John Stone <johns_at_ks.uiuc.edu> wrote:
>
> >
> > Hi,
> > Yes, you can recompile your VASP plugins
> > separately from everything else.
>
> John,
>
> No, I don't think I can. I want to state again
> that I use the PRECOMPILED vmd 1.8.5 for Linux.
>
> It appears that the (vasp)plugins are already
> embedded into the executable, so that the .so
> files are redundant. I verified this by:
> 1) deleting all vasp*.so files from the installation
> directory, though I still can load VASP files.
> 2) hex-viewing of the executable "vmd_LINUX" shows
> lines that refer to the vasp plugins.
>
> Hence, compiling and installing the vasp plugins
> separately, is of no use. Am I right here?
>
> Actually, I helped Sung Sakong with improving the
> last version of the vasp plugins; so I indeed could
> help out here and test, if I don't have to recompile
> the whole VMD package.
>
> Hence, I still keep using 1.8.4 with my own updated
> version of the vasp plugins.
>
> Regards,
> Rob.
>
>
> > 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