This talk focuses on CASTEP's modelling capabilities, and how to get the best performance for different simulations on a range of computers, from multicore laptops to high-performance computing facilities.
This talk focuses on CASTEP's modelling capabilities, and how to get the best performance for different simulations on a range of computers, from multicore laptops to high-performance computing facilities.
It starts with a brief overview of CASTEP and what it can do, how it works and how CASTEP can use multiple CPUs and CPU cores to accelerate scientific simulations.
The talk is illustrated with a range of simulations covering many different aspects of CASTEP's capabilities and will include a discussion of recent work to develop CASTEP for future computing architectures, including improved parallel methods and the GPU port.
