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github_url:https://github.com/adc-connect/adcc/blob/master/docs/benchmarks.rst

Benchmarks and timings

This page provides an overview of the time and memory requirements of running ADC calculations based on a few benchmark cases.

The results have been generated with our automated benchmarking suite adcc-bench, which is based on airspeed-velocity. The benchmarks of adcc-bench are run periodically on the master branch of adcc in order to track performance of adcc across releases.

Cluster benchmarks on Intel(R) Xeon(R) E5-2643

These benchmarks have been run on a node with two Intel(R) Xeon(R) E5-2643 CPUs @ 3.30GHz.

Noradrenaline

p-Nitroaniline

Phosphine core excited states

Methylammonium radical

Water