Achieve Better Performance Tuning & Optimization for HPC Software

This demo shows how to use the Intel® oneAPI Base & HPC Toolkit for performance tuning and optimization of HPC software, such as:

  • Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS)
  • Weather Research and Forecasting (WRF) model
  • Vienna Ab initio Simulation Package (VASP)

Watch a performance comparison that includes GROMACS and CP2K*. Learn about the reasons for performance differences and how to deploy them in real cases.



Shuai Liu is a senior engineer at Paratera and a certified instructor for Intel oneAPI. He graduated from China University of Geosciences in Beijing, with a master's degree in computer science and technology. Shuai's expertise is in HPC research direction, and has five years of parallel-computing-related research experience.

He is familiar with compiling and debugging Fortran and C language programs in the Linux* cluster environment. Shuai has rich experience in system-level, application-level, and micro-architecture-level tuning of applications.