ACES: Ab Initio Molecular Dynamics on NEC Vector Engine

This short course provides an introduction to performing ab initio molecular dynamics simulations using the Vienna Ab initio Simulation (VASP) and Quantum ESPRESSO packages on the ACES cluster using NEC Vector Engine (VE) cards. Participants will learn how to access ACES through the HPRC portal, set up simulation environments, and run VASP and Quantum ESPRESSO jobs efficiently on the NEC VE cards. The session combines theoretical background with hands-on exercises, allowing attendees to gain practical experience in using the NEC VE cards.

Read more at https://hprc.tamu.edu/training/md_vectorEngine.html