QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Inaoton on November 27, 2017, 08:37

Title: Calculation stopped after sometime
Post by: Inaoton on November 27, 2017, 08:37

hello sir,
                I tried to run a script for geometry optimization using plane wave calculator but it stopped after running for a while. There is no error displayed on the log file . Could you please tell me what is the problem? I have attached the files.

Title: Re: Calculation stopped after sometime
Post by: Petr Khomyakov on December 19, 2017, 12:44

Did you try to run it again? Do you have this problem if you use the LCAO calculator?

Title: Re: Calculation stopped after sometime
Post by: Inaoton on December 19, 2017, 13:29

Yes Sir I tried running again but the same situation.
I have not tried in LCAO

Title: Re: Calculation stopped after sometime
Post by: Ulrik G. Vej-Hansen on December 19, 2017, 16:55

As I answered you in the support channel, I believe it is a memory problem. Please see that e-mail for more information.