Page tree
Skip to end of metadata
Go to start of metadata

=


You can register for upcoming TechTake sessions here: https://anu.zoom.us/webinar/register/WN_BdUwI444TBOL-_1kJBsoXA

The whole series occurs at the following time:

May 31, 2022 11:00 AM
Jun 28, 2022 11:00 AM
Jul 26, 2022 11:00 AM
Aug 30, 2022 11:00 AM
Sep 27, 2022 11:00 AM
Oct 25, 2022 11:00 AM


About TechTake


NCI Presents: TechTake is an exciting opportunity for international computational and data science leaders to discuss and demonstrate how technology supports research.

Taking place on the last Tuesday of each month, this event will run online in order to reach diverse audiences across the globe and from all fields.

TechTake is designed to prompt engaging and in-depth conversations about both the current state and potential futures of technology to broaden and deepen understanding.

Upcoming Presenters



Dr. Stephen Sanderson, University of Queensland

Dr. Stephen Sanderson is a postdoctoral research fellow in Prof. Debra Bernhardt’s group at the Australian Institute for Bioengineering and Nanotechnology (AIBN), The University of Queensland, where his studies focus on the theory behind computational methods for and statistical mechanics of non-equilibrium systems. Prior to that, he completed his Ph.D. at James Cook University under the supervision of Prof. Ron White and Dr. Bronson Philippa, where he investigated charge transport and exciton dynamics in organic semiconducting materials using kinetic Monte-Carlo and molecular dynamics techniques.

Title: Making the work-efficient parallel prefix sum do less work

Date/Time: May 31, 2022 11:00 AM

Abstract:  The prefix sum (cumulative sum) algorithm has been accelerated for parallel processing through various algorithms, including the work-efficient algorithm in which the calculation is performed in “up sweep” and a “down sweep” stages. This talk begins by discussing details of implementing and optimizing this algorithm on GPU, as outlined in [1]. A common use of the prefix sum is to aid in selecting a random element from an array of probabilities. The cumulative sum of the array is generated, and then an element is chosen such that it is the last element with a value lower than or equal to a random number. In this talk, modifications to the work-efficient parallel prefix sum algorithm and the subsequent search algorithm are described which avoid unnecessary work in this specific “sum and search” use case.

[1] M. Harris, S. Sengupta, J. Owens; Chapter 39: Parallel Prefix Sum (Scan) with CUDA, GPU Gems 3 (2007), Available online: https://developer.nvidia.com/gpugems/gpugems3/part-vi-gpu-computing/chapter-39-parallel-prefix-sum-scan-cud


Dr. Jack Yang, University of New South Wales

Jack is Lecturer in Material Studies with Artificial Intelligence at the School of Material Science and Engineering and Materials and Manufacturing Futures Institute, UNSW. He is also a member of the Research technology Service Team under the office of the Pro-Vice-Chancellor (Research Infrastructure) at UNSW, to provide support for computational research on HPC across the University. Jack obtained his BSc(Nanotech) in 2008 and Ph.D. in 2011 from UNSW. Before returning to UNSW in 2017, Jack had been a Postdoctoral Research Fellow at Westfälische Wilhelms-Universität Münster, Germany, and the University of Southampton, the UK where he worked on developing new structure prediction and machine-learning methods for discovering new functional organic materials. Currently, Jack is leading his own group in AI-driven material studies at UNSW with major research interests in the electron and phonon dynamics in perovskites for electronic, photovoltaics, energy storage, and catalytic applications.

Title: Benchmarking VASP6 on Gadi

Date/Time: Jun 28, 2022 11:00 AM

Abstract:  Around 30 % of the computational powers on HPCs are currently devoted to running calculations using DFT (Density-Functional-Theory), an extremely powerful method that can help scientists to understand the thermodynamic and electronic properties of matters, being either molecules, nanostructures, crystalline or amorphous solids. Among all the DFT codes, VASP (Vienna Ab-initio Simulation Package), is one of the most widely used packages for performing DFT calculations on periodic systems. Recently, a major update to VASP (version 6) has been released and is now accessible on Gadi. Whilst most of the new features introduced in VASP6 are around accelerating the post-DFT calculations (such as hybrid-DFT and GW approximations), standard DFT users will still be able to benefit from the new GPU-compilation of VASP6, which can provide a significant speedup when running the DFT calculations on larger systems. In this short seminar, Dr. Jack Yang from UNSW will present his benchmark results from running VASP6 on Gadi, focusing on features that one can see significant performance improvement in VASP6 compared to VASP5. We hope these new benchmark results will encourage existing VASP5 users to consider upgrading to VASP6, in order for them to make more efficient usage of the computational resources provided by Gadi from NCI.


Dr. Matthew Downton, National Computational Infrastructure

Matthew is the associate director, performance optimisation at NCI.  

Title: TBC

Date/Time: Jul 26, 2022 11:00 AM

Abstract:  


Andrew Howard, National Computational Infrastructure

Matthew is the associate director, cloud services at NCI.  

Title: TBC

Date/Time: Aug 30, 2022 11:00 AM

Abstract:  

Previous Presenters

The TechTake2021 Series is available to access: https://opus.nci.org.au/x/KAC_Bg 

Would you like to be part of TechTake?

If you would like to present your work as part of TechTake, get in touch with the NCI Training team: training.nci@anu.edu.au






  • No labels