UT theoretical chemistry code forum

Dear Prof. Henkelman,

I am observing that my dimer runs are abruptly stopping updating the output files. The worst part is that the job is still seen in the queue as running. Only when I go to check the status of the output files, I realize that the job has stopped updating a long time back.

I am attaching one such job folder. Can you think of any reason why this might be happening.

Best regards,
Minhaj

The calculation appears to have been running fine; I can't see any reason for why it stopped. It is also not clear, based upon the OUTCAR that it stopped in the vtstcode. Before looking into this more, I would check for other possible reasons such as reaching a time limit from the queue or disk limits.