A STOPCAR can stop a NEB run?

[cenwanglai]

When I wrote a STOPCAR (LSTOP = TRUE) in the NEB run directory, I found the the job did not stop as supposed to be. And, in the files 0X/OSZICAR, there were different ion steps. What happen to this state?

[cenwanglai]

It really do.

hehe. This question is seem to be a joke.

[vshapovalov]

Hi !
I read that in a parallel execution the problem might be that VASP deletes STOPCAR before it is applied to every image. The solution was to make STOPCAR read-only. Once VASP stopped, you have to delete STOPCAR by hand. Never tried it myself, just passing it on. Hope this helps.

Vlad

[cenwanglai]

Thanks for your respondence.