using nebmovie.pl

[dfcox]

I am trying to use the nebmovie.pl script for the first time. I have all the extracted scripts in the working directory. Just in case it matters, I am trying nebmovie on a standard VASP NEB run, not a run using the VTST Tools (we are having problems reproducing our original VASP compilation, but will recompile with the VTST tools once we work that out). Since the operations are on position files, I thought this wouldn't matter. However, I do see that nebmovie tries to grep information from the OUTCAR files.

For a run with 7 images, if I try to generate the movie with POSCARs (flag=0), I get an empty movie.xyz file in the working directory, and empty POSCAR.xyz files in all the subdirectories, with the following output:

Using POSCARs to generate movie

sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory

If I try to generate a movie with CONTCARs (flag-1) I get similar empty files and the following output:

Using CONTCARs to generate movie

copying
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
unlinking
sed: can't read POSCAR.xyz: No such file or directory
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
sed: can't read POSCAR.xyz: No such file or directory
copying
sh: vasp2con.pl: command not found
sh: con2xyz.pl: command not found
unlinking
sed: can't read POSCAR.xyz: No such file or directory

The two scripts, vasp2con.pls and con2xyz.pl, are in the working directory, and I am certain I have the latest versions of all the script files.

Dave

[graeme]

One fix should be to put your vtstscripts directory in your path.

But we generally don't require this -- the scripts should reference each other using the path from which they are located. It doesn't look like this convention was followed in the nebmovie.pl script. If you are willing to help debug this, try changing lines 62-63:

system "vasp2con.pl $filetype POSCAR.con > /dev/null" ;
system "con2xyz.pl POSCAR.con > /dev/null" ;

to

system "$Bin/vasp2con.pl $filetype POSCAR.con > /dev/null" ;
system "$Bin/con2xyz.pl POSCAR.con > /dev/null" ;

If this works, I'll updated the scripts package.

[dfcox]

Thanks for the help. I will give it a try. Dave

[dfcox]

That worked. Thank you for the help. And my apologies - I should have fixed that myself. Dave

[graeme]

Ok, good to hear. I'll go through and clean up any other scripts that are broken in this way.

[graeme]

done

[berna_akgenc]

Dear Greame,

I am trying to use ./nebmovie.pl to watch the animation. I've tried lots of way according to previous posts. Could you help me please?

[graeme]

Leave all the perl scripts from the vtstscripts package in a single directory, and then add that directory to your path. The scripts work together, so don't copy one to a working directory. You can use a standard viewer to visualize the NEB movie; it is just a concatenated set of POSCAR-style files.

[emahery]

hello every one
When I run the nebmovie.pl script I get the following message: Using POSCARs to generate movie
---------------------------------
<a href ="http://www.ezdia.com/blog/user-experien ... e-ranking/"> Important for a higher Google ranking </a>