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Issue with SHG Calculation in Yambo 5.3 (GPU)

Posted: Sun Mar 16, 2025 9:12 am
by hien9999
Dear Developers,

I was performing an SHG calculation for GaSe bulk using Yambo 5.3 with GPU acceleration. However, I encountered the following error during the polarization step:
[ERROR] STOP signal received while in[06] NL Start and Restart
[ERROR] LINEAR ALGEBRA driver [GETRF (SI)]WS%v_cmplxspace failed
I ran the same Yambo input using Yambo 5.1.2 with a CPU, and it worked without any errors.
Since I am new to Yambo, I would appreciate your guidance in resolving this issue. I have attached my DFT and Yambo input files for reference.
Thank you for your help.

Best regards,
Hien

Re: Issue with SHG Calculation in Yambo 5.3 (GPU)

Posted: Tue Mar 18, 2025 10:56 am
by claudio
Dear Hien

I do not see particular error in your inputs, I will try to reproduce the error and make you know

best
Claudio

Re: Issue with SHG Calculation in Yambo 5.3 (GPU)

Posted: Sat Apr 05, 2025 7:46 am
by hien9999
Dear Claudio,

I was wondering if you could run code? Please let me know if there’s any update on this. Thank you.

Best,
Hien