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

[Daniel B. Straus]

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

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