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
Ask for a NEB/Dimer question!
Moderator: moderators
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.
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.