nebmake.pl

Vasp transition state theory tools

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stsh
Posts: 8
Joined: Tue Jul 15, 2014 6:26 pm

nebmake.pl

Post by stsh »

Hi

I have a basic question on how to link VASP. I get the following error when I run nebmake.pl as follows:

$./nebmake.pl POSCAR1 POSCAR2 9

This is what I get as error

$Can't locate vasp.pm in @INC (@INC contains: /research/dir/ch6/neb /usr/local/lib64/perl5 /usr/local/share/perl5 /usr/lib64/perl5/vendor_perl /usr/share/perl5/vendor_perl /usr/lib64/perl5 /usr/share/perl5 .) at ./nebmake.pl line 8.
BEGIN failed--compilation aborted at ./nebmake.pl line 8.

Also I don't exactly know which directory to feed into PATH variable. The vtsttools.tar.gz has all the files as fortran files. So if I link PATH to this fortran files containing directory, what difference will it make when running any script? Also I had to get the nebmake.pl separately from your vtst repositories. Confused...

Thanks for any help
stsh
Posts: 8
Joined: Tue Jul 15, 2014 6:26 pm

Re: nebmake.pl

Post by stsh »

Sorry. I don't know why, but I put in Vasp.pm script in the working directory and everything looks fine.
graeme
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Joined: Tue Apr 26, 2005 4:25 am
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Re: nebmake.pl

Post by graeme »

You should download all of the scripts into one directory, put that directly into your path, and run them from there. Then, they will be able to find each other.
stsh
Posts: 8
Joined: Tue Jul 15, 2014 6:26 pm

Re: nebmake.pl

Post by stsh »

Thank you :)
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