Dear Paolo, Thank you so much for your prompt reply and running the test. I have followed your suggestion and submitted a calculation with only two CPU cores and the "-nk 2" option. Unfortunately, the result was exactly the same. It appears the issue is on our end.
We will request the installation of the latest QE version on our HPC and run tests with it. Hopefully that will fix the issue. Thank you again for your assistance. Best regards, Gergely Nagy Gergely Nagy – ELI-ALPS ________________________________ From: Paolo Giannozzi <[email protected]> Sent: Tuesday, 17 September 2024 8:24 am To: Quantum ESPRESSO users Forum <[email protected]> Cc: Nagy Gergely Norbert <[email protected]> Subject: Re: [QE-users] [SPAM] GPU-accelerated pw.x error: "cusolverDnZhegvdx failed" [You don't often get email from [email protected]. Learn why this is important at https://aka.ms/LearnAboutSenderIdentification ] It may or may not be related: if you have 2 GPUs, you should run 2 MPI processes, preferably with k-point parallelization. Something like: mpirun -np 2 pw.x -nk 2 ... Note the message: > GPU acceleration is ACTIVE. > > Message from routine print_cuda_info: > High GPU oversubscription detected. Are you sure this is what you > want? Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
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