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Ask for a NEB/Dimer question!

Posted: Tue Apr 03, 2007 2:12 pm
by langes
Hallo, sir!
I'd like to do a NEB computation! I install the NEB and Dimer code with the website http: //theory.cm.utexas.edu/vtsttools/downloads/.
And I use the example of "http://theory.cm.utexas.edu/vtsttools/dimer/" for a test!
Yes,I'ts running!But there are no DIMCAR in output data!
The question is why it is?It's needed a parallel pc?I use a single pc!
Or I need to compile the code again???

I appreciate your help!
langes

Posted: Wed Apr 04, 2007 5:07 am
by graeme
The dimer method does not need to run in parallel. Did you rebuild your binary, following these instructions at:

http://theory.cm.utexas.edu/vtsttools/downloads/

Try grepping for vtst in the OUTCAR to see if the vtst code is built into your binary.