use of nebconverge.pl

Vasp transition state theory tools

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hechaoyu
Posts: 3
Joined: Mon Feb 25, 2013 11:23 am

use of nebconverge.pl

Post by hechaoyu »

Dear everybody!
I am a new user of VTSTTools. When I use the script of nebconverge.pl, there are some outputings and the program stop.
"Use of chdir(' ') or chdir(undef) as chdir( ) is deprecated at ..../.../.../nebconverge.pl line 27"
I don't understand this. Please tell me how to deal with such problem and let the script run well?
Best wishes!
graeme
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Re: use of nebconverge.pl

Post by graeme »

It looks like a trick that we use to determine if a directory exists is no longer allowed. It does, however, appear to be a warning and not an error. Did the script not run correctly?

I'll update the script to avoid this message.
graeme
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Re: use of nebconverge.pl

Post by graeme »

Ok, the vtstscript tar file has been updated.
hechaoyu
Posts: 3
Joined: Mon Feb 25, 2013 11:23 am

Re: use of nebconverge.pl

Post by hechaoyu »

[quote="graeme"]Ok, the vtstscript tar file has been updated.[/quote]
Thank you for your reply. Where can I download the updated script?
By the way. I run the nebconverge.pl (with the task directory moved to another computer) on another computer and it create no a directory vaspgr but a file vaspgr. I remember that in the old version, it can create a directory conatining many .eps files.
hechaoyu
Posts: 3
Joined: Mon Feb 25, 2013 11:23 am

Re: use of nebconverge.pl

Post by hechaoyu »

[quote="graeme"]Ok, the vtstscript tar file has been updated.[/quote]
Dear Graeme:
Thank you for your updating. I can use the script in our computer now. It can create a directory vaspgr with some output.eps files.
Thank you very much agin!
But I still have problems to run it on my personal computer. It can create a directory with out anything. No vaspout1.eps, vaspout2.eps will be created!
graeme
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Re: use of nebconverge.pl

Post by graeme »

You probably need to have gnuplot installed. It will not generate any graphs without out.
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