QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Redjj on October 30, 2021, 10:10

Title: Transmission spectrum calculation error
Post by: Redjj on October 30, 2021, 10:10

I calculate the transmission spectrum of a device system, but it is strange that self-consistent can converge but an error will be reported when the transmission spectrum is calculated. When I use 36 cpu for calculation, it will report EXIT CODE: 9 (see log_1); when I use 1 cpu for calculation, it will report EXIT CODE: 139 (see log_2). Does anyone know how to solve this problem?  Thanks.

Title: Re: Transmission spectrum calculation error
Post by: Petr Khomyakov on November 8, 2021, 12:07

It is a memory issue when calculating transmission spectrum. The same could happen, for instance, when calculating DOS with too many k-points, provided not sufficient memory is available. Try to calculated transmission spectrum using analysis from file, i.e., using already SCF-calculated device configuration, but reduce the number of tasks per node by half or more.