QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: paramjot on May 4, 2020, 19:09

Title: mobility of graphene
Post by: paramjot on May 4, 2020, 19:09

I try simulate mobility of graphene using the quantum atk tutorials but  after sometime it showing finished even  the  calculation is not finished. Even i try to increase maximum iteration number but still same result. need help! I am attaching the log file with it.

Title: Re: mobility of graphene
Post by: paramjot on May 5, 2020, 16:13

plz anybody help?

Title: Re: mobility of graphene
Post by: Petr Khomyakov on May 6, 2020, 09:13

Seeing your script could be helpful. Also, do you mean the status of the job is finished in the Job Manager, whereas the job is still running on a remote cluster? Do you actually use a remote cluster for this calculation? Then you may also have additional output files, e.g., error file or something like that.