Introducing k-point parallelism into VASP

Introducing k-point parallelism into VASP

a r t i c l e i n f o a b s t r a c t For many years ab initio electronic structure calculations based upon density functional theory have been one of the main application areas in high performance computing (HPC). Typically, the Kohn– Sham equations are solved by minimisation of the total energy functional, using a plane wave basis set for valence electrons and pseudopotentials to obviate the ...

Handling Massive Parallelism Efficiently: Introducing Batches of Threads

Emerging parallel architectures provide the means to efficiently handle more fine-grained and larger numbers of parallel tasks. However, software for parallel programming still does not take advantage of these new possibilities, retaining the high cost associated with managing large numbers of threads. A significant percentage of this overhead can be attributed to operations on queues. In this ...

Introducing Objects and Parallelism to an Imperative Programming Language

Exploiting and Introducing Parallelism for Efficient Object Detection

We propose a new method to quickly and accurately predict 3D positions of body joints from a single depth image, using no temporal information. We take an object recognition approach, designing an intermediate body parts representation that maps the difficult pose estimation problem into a simpler per-pixel classification problem. Our large and highly varied training dataset allows the classifi...

FOCAL POINT AND FOCAL K-PLANE

This paper deals with the basic notions of k-tautimmersions . These notions come from two special cases; that is, tight and taut immersions. Tight and taut based on high and distance functions respectively and their basic notions are normal bundle, endpoint map, focal point, critical normal. We generalize hight and distance functions to cylindrical function and define basic notions of k-taut ...