QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: nisreen on August 18, 2021, 16:34

Title: Extra large system simulation
Post by: nisreen on August 18, 2021, 16:34

Dear Sir,

I'm trying to simulate a FET (Feild Effect Transistor) sensor with a virus on top of it, the system is very large (almost 7000-7200 atoms), all my trials were not successful the simulation is always interrupted with the error "Bad Termination" (photo attached) can you please advise?

Regards,

Title: Re: Extra large system simulation
Post by: mlee on August 19, 2021, 13:52

I would like to recommend to read as the following link:
https://forum.quantumatk.com/index.php?topic=2163.msg10196#msg10196 (https://forum.quantumatk.com/index.php?topic=2163.msg10196#msg10196)

Title: Re: Extra large system simulation
Post by: nisreen on August 19, 2021, 18:28

Dear mlee,

thank you for your reply. I've already checked this thread and the provided tutorial link is not working. can you please provide alternative one ?

regards,

Title: Re: Extra large system simulation
Post by: mlee on August 20, 2021, 10:01

The error message is mostly from the queue system, not QuantumATK.
At first you need to check with your server requirements such as memory or storages..

Sorry, I cannot find exactly same one.
But the below link will be helpful to run it. 
https://docs.quantumatk.com/technicalnotes/advanced_performance/advanced_performance.html
https://docs.quantumatk.com/technicalnotes/negf_convergence_guide/negf_convergence_guide.html

Hope it works for you.

Title: Re: Extra large system simulation
Post by: nisreen on August 20, 2021, 10:41

Many thanks, I'll check these out