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!
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