19 citations · 19 across the 1 of their papers we have counts for
6 papers
COSTA: Communication-Optimal Shuffle and Transpose Algorithm with Process Relabeling
Marko Kabić, Simon Pintarelli, Anton Kozhevnikov +1
Communication-avoiding algorithms for Linear Algebra have become increasingly popular, in particular for distributed memory architectures. In practice, these algorithms assume that…
Materials Cloud, a platform for open computational science
Leopold Talirz, Snehal Kumbhar, Elsa Passaro +17
Materials Cloud is a platform designed to enable open and seamless sharing of resources for computational science, driven by applications in materials modelling. It hosts 1) archiv…
CP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations
Thomas D. Kühne, Marcella Iannuzzi, Mauro Del Ben +36
CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular and biological systems. It is…
Red-blue pebbling revisited: near optimal parallel matrix-matrix multiplication
Grzegorz Kwasniewski, Marko Kabić, Maciej Besta +3
We propose COSMA: a parallel matrix-matrix multiplication algorithm that is near communication-optimal for all combinations of matrix dimensions, processor counts, and memory sizes…
Pushing Back the Limit of Ab-initio Quantum Transport Simulations on Hybrid Supercomputers
Mauro Calderara, Sascha Brueck, Andreas Pedersen +3
The capabilities of CP2K, a density-functional theory package and OMEN, a nano-device simulator, are combined to study transport phenomena from first-principles in unprecedentedly…
Increasing the Efficiency of Sparse Matrix-Matrix Multiplication with a 2.5D Algorithm and One-Sided MPI
Alfio Lazzaro, Joost VandeVondele, Juerg Hutter +1
Matrix-matrix multiplication is a basic operation in linear algebra and an essential building block for a wide range of algorithms in various scientific fields. Theory and implemen…