Re: [QE-users] CUDA-compiled version of Quantum Espresso

2021-06-24 Thread Filippo Spiga
Hello Chiara, Maxwell and Turing architectures are not a good fit due to their reduced double precision support. They target different segment. Kepler, Pascal, Volta and Ampere are a good fit. Kepler and Pascal are old, I strongly suggest Volta and Ampere (latest being better, obviously). If you

Re: [QE-users] CUDA-compiled version of Quantum Espresso

2021-06-23 Thread Paolo Giannozzi
On Sun, Jun 20, 2021 at 5:29 PM Chiara Biz wrote: > > we would like to compile the GPU-QE since we learnt that is faster for > spin-polarzed wavefunctions. > We would like to ask you which NVIDIA architecture is supported by QE: > Maxwell, Pascal, Turing, Ampere? > QE does not "support"

[QE-users] CUDA-compiled version of Quantum Espresso

2021-06-20 Thread Chiara Biz
Dear QE team, we would like to compile the GPU-QE since we learnt that is faster for spin-polarized wavefunctions. We would like to ask you which NVIDIA architecture is supported by QE: Maxwell, Pascal, Turing, Ampere? Can QE support SLY? These are crucial aspects for us because they will