[QE-users] [QE-GPU] Ylm out of bounds

[Pietro Davide Delugas]

Hello
Could you provide more details ?
Regards Pietro

Sent from Mail<https://go.microsoft.com/fwlink/?LinkId=550986> for Windows

From: Daniel B. Straus<mailto:dstraus at princeton.edu>
Sent: Tuesday, November 2, 2021 4:09 PM
To: users at lists.quantum-espresso.org<mailto:users at lists.quantum-espresso.org>
Subject: [QE-users] [QE-GPU] Ylm out of bounds

Hello,

Jobs that ran fine with 6.7 are failing in 6.8 with the following error:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine  ylmr (6):
     l>4 => out of bounds in Ylm with CUDA Kernel
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I am using the containers published at https://ngc.nvidia.com/catalog/containers/hpc:quantum_espresso for both 6.7 and 6.8.

Any ideas?

Thanks,
Daniel

--
Daniel Straus
Postdoctoral Research Associate
Department of Chemistry
Princeton University
Frick Laboratory A09
Princeton, NJ 08544
dstraus at princeton.edu


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20211102/bfc6f5e1/attachment.html>