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
[email protected]
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