QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Jenny on June 18, 2015, 21:35

Title: singular value decompostion failed
Post by: Jenny on June 18, 2015, 21:35

Hi, all.

I met a problem when I conducted the calculation with bias between two electrodes in the device. Parallel calculation was running with five computers. The error was running as follow:
*** Back Engine Exception : Singular value decomposition failed
*** Location of Exception: mathutils.cpp:870

This application has requested the Runtime to terminate it in an unusual way.
Please contact the application's support team for more infomation.
*** Back Engine Exception : Singular value decomposition failed
*** Location of Exception: mathutils.cpp:870

This application has requested the Runtime to terminate it in an unusual way.
Please contact the application's support team for more infomation.

The script I used is attached here. Can anyone give me a help on this?

Thank you very much.

Jenny

Title: Re: singular value decompostion failed
Post by: Umberto Martinez on June 19, 2015, 13:35

Thanks for reporting the error message.
We are investigating the issue.
Please, also specify which ATK version you are using and if possible add log file.
Keep you posted.

Title: Re: singular value decompostion failed
Post by: Jenny on June 19, 2015, 19:10

Hi, Umberto Martinez.

Thank you for your reply. I'm using atk-13.8.1 version. The log file seems to be too large to be attached here. Sorry.

Jenny

Title: Re: singular value decompostion failed
Post by: Jenny on June 19, 2015, 19:11

Also, I tried to do the calculation without parallel computers. It seems ok. So I'm not sure whether it is related to the parallel calculation or not.

Best,

Jenny

Title: Re: singular value decompostion failed
Post by: zh on June 21, 2015, 01:08

Have you tried the parallel calculation with 2^n (n=1, 2, 3,...)  CPU cores instead of 5 CPU cores?

Title: Re: singular value decompostion failed
Post by: Jenny on June 22, 2015, 18:15

You mean like 2, 4, 8 CPU cores instead of 5? I'll try and see. But why?

Jenny