Date: 24 June 2020
Location: Online

CP2K webinar

Next 24th of June 2020 at 11am (CEST), the 4th Webinar of a series presenting the most recent developments of the MAX flagship codes entitled "HPC libraries for CP2K and other electronic structure codes" will be held, featuring the CP2K code.

Nowadays, a huge amount of numerical operations are being used by HPC programmers and it's important for them to know the existence of specifically developed numerical libraries that will help them in dealing with programs' performance problems.

CSCS is working on several HPC libraries which can be adopted by electronic structure codes in order to run them efficiently on current and next-generation hybrid architectures (both NVIDIA and AMD).

The webinar will provide an accurate overview of the HPC libraries developed at CSCS in order to accelerate electronic structure code such as CP2K and Quantum ESPRESSO. These libraries are (1) DBCSR, (2) COSMA, (3) SpFFT and (4) SIRIUS).

By participating, you will be able to:

  • Learn the overview of HPC problems arising from large scale electronic structure calculations in localised basis (CP2K) and plane-wave basis (Quantum ESPRESSO),
  • Discover the HPC libraries help to accelerate electronic structure code such as CP2K and Quantum ESPRESSO,
  • Cultivate synergies and network across the MaX flagship code experts.


If you missed the MaX webinar on CP2K code, click here to watch the recorded webinar and download the speakers’ slides.