Issue with SHG Calculation in Yambo 5.3 (GPU)
Posted: Sun Mar 16, 2025 9:12 am
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
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