GTC ON-DEMAND

 
SEARCH SESSIONS
SEARCH SESSIONS

Search All
 
Refine Results:
 
Year(s)

SOCIAL MEDIA

EMAIL SUBSCRIPTION

 
 

GTC ON-DEMAND

Quantum Chemistry
Presentation
Media
VASP: A Case Study for Accelerating Plane Wave DFT Codes
Abstract:
In this session we will detail how we accelerated the VASP software package, used for atomic scale material modeling, on GPUs. Presenters in past years have shown that a straightforward implementation of VASP on GPUs with the help of the GPU-accelerated cuFFT and cuBLAS libraries can yeild reasonable speedups, bur we will show in this session that by targeting the implementation more towards the GPU's strengths and porting additional work, we can achieve more than a 3x speedup over this. We will present the methodology we followed, for improving both single GPU performance and multi-GPU, multi-node scaling. This work has been implemented in collaboration by NVIDIA interns and engineers (Jeroen Bedorf, Przemyslaw Tredak , Dusan Stosic, Arash Ashari, Paul Springer, Darko Stosic and Sarah Tariq), and researchers from Ens-lyon, IFPEN (Paul Fleurat-Lessard and Anciaux Sedrakian), CMU(Michael Widom) and University of Chicago (Maxwell Hutchinson).
 
Topics:
Quantum Chemistry
Type:
Talk
Event:
GTC Silicon Valley
Year:
2014
Session ID:
S4692
Streaming:
Download:
Share: