University of Cambridge > Talks.cam > RSE Seminars > Performance and scaling improvements for CASTEP

  Browse A-Z

Log in

University Account External (via Google)

🔐 Log In

Information on

Subscribing to talksdetails Finding a talkdetails Adding a talkdetails Disseminating talksdetails Help and Documentationdetails

ℹī¸ Information

Performance and scaling improvements for CASTEP

Download to your calendar using vCal

If you have a question about this talk, please contact Jeffrey Salmond .

Castep is one of the leading simulation codes for ab-initio calculation of material properties. In this talk, I discuss several projects that have aimed to improve the performance of CASTEP across several architectures. In particular I will talk about improving the scaling capability of CASTEP on traditional HPC hardware, the development of a prototype GPU port using OpenACC, and improving vectorisability of the code for modern and upcoming CPU architectures. We aim to give both a general overview of the technologies and techniques used and the specific implementation in CASTEP .

This talk is part of the RSE Seminars series.

This talk is included in these lists:

Note that ex-directory lists are not shown.

Other lists

Goldsmiths 2 & https://zoom.us/j/96836714142?pwd=b3RpdHgxNVhWbWQrbXluMUxYNWVtQT09 Meeting ID: 816 8836 5420 Passcode: 047859 Mill Lane, Lecture Room 5 Average on weekdays: 8928.25986842 kWh

Other talks

Rothschild Public Lecture | Forty years of causal inference: Report of a great-grandfather New insights on the turbulent energy cascade from non-equilibrium statistical mechanics Cambridge RNA Club - ONLINE Title TBC Director's Welcome Morning Tea and Coffee
 

Š 2006-2025 Talks.cam, University of Cambridge. Contact Us | Help and Documentation | Privacy and Publicity