Online Workshop: VASP/EMTO Best Practices Workshop

16-18 April 2024

NAISS and ENCCS organise the VASP/EMTO Best Practices Workshop. During the workshop we will showcase how to run the VASP (Vienna Ab-initio Simulation Package) and the EMTO (Exact Muffin-Tin Orbitals) packages efficiently on supercomputers. This workshop includes:

  1. basic theory, DFT and PAW-method;
  2. general introduction to VASP and EMTO, essential files and parameters, workflow;
  3. running VASP at HPC centers, CPUs and GPUs (examples from NAISS);
  4. performance analysis;
  5. common issues;
  6. post-processing tools; and
  7. running VASP/EMTO calculations step-by-step on the Tetralith and Leonardo Booster clusters.

Time: 16-18 April 2024, 10:00-15:00

Detailed information and access to registration are handled on the ENCCS webpage: