[QE-users] ⚛️ See the GRIR443 benchmark in action — no supercomputer needed ⚛️

[Eunice Oliveira]

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!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250620/c9cc14fb/attachment.html>