When viewing the Technical Program schedule, on the far righthand side
is a column labeled "PLANNER." Use this planner to build your own
schedule. Once you select an event and want to add it to your personal
schedule, just click on the calendar icon of your choice (outlook
calendar, ical calendar or google calendar) and that event will be
stored there. As you select events in this manner, you will have your
own schedule to guide you through the week.
You can also create your personal schedule on the SC11 app (Boopsie) on your smartphone. Simply select a session you want to attend and "add" it to your plan. Continue in this manner until you have created your own personal schedule. All your events will appear under "My Event Planner" on your smartphone.
ABSTRACT: In this work, we present our implementation of the density functional theory (DFT) plane wave pseudopotential (PWP) calculation on GPU clusters. This GPU version is developed based on a CPU DFT-PWP code: PEtot, which can calculate up to a thousand atoms on thousands of processors. Our test indicates that the GPU version can have a ~10 times speed-up over the CPU version and is about 5 times faster than the legendary VASP code. A detail analysis of the speed-up and the scaling on the number of CPU/GPU computing units (up to 256) are presented. The success of our speed-up relies on a hybrid reciprocal-space and band-index parallelization scheme. As far as we know, this is the first GPU DFT-PWP code scalable to large number of CPU/GPU computing units. We also outlined the future work, and what is needed to further increase the computational speed by another factor of 10.
Long Wang - Supercomputing Center of Computer Network Information Center, Chinese Academy of Sciences
Weile Jia - Supercomputing Center of Computer Network Information Center, Chinese Academy of Sciences
Xuebin Chi - Supercomputing Center of Computer Network Information Center, Chinese Academy of Sciences
Yue Wu - MOE Key Laboratory of Computational Physical Sciences, School of Mathematical Sciences, Fudan University
Weiguo Gao - MOE Key Laboratory of Computational Physical Sciences, School of Mathematical Sciences, Fudan University
Lin-Wang Wang - Material Science Division,Lawrence Berkeley National Laboratory