VMD-L Mailing List

From: Rob (spamrefuse_at_yahoo.com)
Date: Mon Sep 25 2006 - 05:45:15 CDT

--- 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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