Good to know, thanks. For context: who are you? (name/affiliation) In which capacity are you writing? Thanks — SB
___ Stefano Baroni, Trieste -- http://stefano.baroni.me On 20 Jun 2025, at 19:19, Eunice Oliveira <eolive...@inductiva.ai> wrote: The GRIR443 benchmark is one of the well-known tests in the Quantum ESPRESSO benchmarking suite, widely used to evaluate the performance of computational infrastructures. This benchmark runs a large-scale self-consistent field (SCF) calculation that pushes both memory and parallel performance to their limits. It models a carbon–iridium complex (C200Ir243) with 2,233,063 G-vectors, eight k-points, and an FFT grid sized 180×180×192. For context: * The Supercomputing Center of Wales reported it takes around 22 minutes on 160 CPU cores. * Fugaku, Japan’s world-leading supercomputer, completed it in just 223.6 seconds using 768 AMR-based cores. Curious to see this benchmark in action on Inductiva<https://inductiva.ai/>? Check out this tutorial<https://inductiva.ai/guides/quantumespresso/run-grir443-benchmark> to run it yourself — for under a dollar. You can easily adapt this tutorial to your own Quantum ESPRESSO simulations. Happy simulations! _______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
