QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Maneesh on March 21, 2014, 06:49

Title: Runtime to terminate
Post by: Maneesh on March 21, 2014, 06:49

Dear sir

I want to calculated some properties of z- junction devices as such as given in atk tutorial for device configuration by ATK-DFT. And try to calculate some properties of such as transmission spectrum, device density of states etc. And after the job manager running the calculation failed.

And give the message in last
 This application has requested the Runtime to terminate it in an unusual way.
Please contact the application's support team for more information.

Please to help me

Thanks in advance
                                                              Maneesh

Title: Re: Runtime to terminate
Post by: Anders Blom on March 21, 2014, 12:30

Most likely you do not have enough memory on the computer to fit the simulation.

Title: Re: Runtime to terminate
Post by: Maneesh on March 22, 2014, 10:02

Dear sir,

thanks for your mail

as suggested by you that the memory my p.c is 12 GB which is on the higher side required for running the script .


thanks


                                   maneesh

Title: Re: Runtime to terminate
Post by: Anders Blom on March 22, 2014, 23:53

Your attachment only contains the geometry (which is very cool!), not the calculation settings, so that's hard to judge. But with default device parameters (DFT), it is estimated to need about 6 GB, which is +-25-50%, so it comes down to
a) if you increased any parameters from default, and
b) if you try to run more than one MPI process on the machine, then it very likely will hit the memory ceiling.