Related papers: GRACOS: Scalable and Load Balanced P3M Cosmologica…
Operator learning offers a powerful paradigm for solving parametric partial differential equations (PDEs), but scaling probabilistic neural operators such as the recently proposed Gaussian Processes Operators (GPOs) to high-dimensional,…
We introduce a new code, ECOSMOG, to run N-body simulations for a wide class of modified gravity and dynamical dark energy theories. These theories generally have one or more new dynamical degrees of freedom, the dynamics of which are…
As an entry for the 2012 Gordon-Bell performance prize, we report performance results of astrophysical N-body simulations of one trillion particles performed on the full system of K computer. This is the first gravitational trillion-body…
Graph Convolutional Networks (GCNs) are extensively utilized for deep learning on graphs. The large data sizes of graphs and their vertex features make scalable training algorithms and distributed memory systems necessary. Since the…
We discuss a detailed weak scaling analysis of GEM, a 3D MPI-parallelised gyrofluid code used in theoretical plasma physics at the Max Planck Institute of Plasma Physics, IPP at Garching b. M\"unchen, Germany. Within a PRACE Preparatory…
Modern algorithms for de novo prediction of protein structures typically output multiple full-length models (decoys) rather than a single solution. Subsequent clustering of such decoys is used both to gauge the success of the modelling and…
Spatially-coupled (SC) codes, known for their threshold saturation phenomenon and low-latency windowed decoding algorithms, are ideal for streaming applications. They also find application in various data storage systems because of their…
Parallelization is a necessity for large-scale simulations due to the amount of data processed. In this article we investigate different load balancing methods using Vlasiator, a global magnetospheric simulation as our case study. The…
Fast algorithms for the computation of $N$-body problems can be broadly classified into mesh-based interpolation methods, and hierarchical or multiresolution methods. To this last class belongs the well-known fast multipole method (FMM),…
This thesis introduces a set of methods for testing models of modified gravity using galaxy clusters. In particular, a technique for constraining models with a chameleon screening is introduced. In addition, the outlined technique is…
In this paper, we present a new hybrid algorithm for the time integration of collisional N-body systems. In this algorithm, gravitational force between two particles is divided into short-range and long-range terms, using a…
The predominance of Kohn-Sham density functional theory (KS-DFT) for the theoretical treatment of large experimentally relevant systems in molecular chemistry and materials science relies primarily on the existence of efficient software…
We describe PTreeSPH, a gravity treecode combined with an SPH hydrodynamics code designed for massively parallel supercomputers having distributed memory. Our computational algorithm is based on the popular TreeSPH code of Hernquist & Katz…
The paper provides a unified co-design of 1) a programming and execution model that allows spawning tasks from within the vertex data at runtime, 2) language constructs for \textit{actions} that send work to where the data resides,…
An improved implementation of an N-body code for simulating collisionless cosmological dynamics is presented. TPM (Tree-Particle-Mesh) combines the PM method on large scales with a tree code to handle particle-particle interactions at small…
We present a load balancing strategy for hybrid particle-mesh methods that is based on domain decomposition and element-local time measurement. This new strategy is compared to our previous approach, which assumes a constant weighting…
Edge-centric distributed computations have appeared as a recent technique to improve the shortcomings of think-like-a-vertex algorithms on large scale-free networks. In order to increase parallelism on this model, edge partitioning -…
We describe a new implementation of a parallel Tree-SPH code with the aim to simulate Galaxy Formation and Evolution. The code has been parallelized using SHMEM, a Cray proprietary library to handle communications between the 256 processors…
The Stokeslet and stresslet kernels are commonly used in boundary element simulations and singularity methods for slow viscous flow. Evaluating the velocity induced by a collection of Stokeslets and stresslets by direct summation requires…
We have developed a compressed neighbor list for short-range particle-particle interaction based on a space- filling curve (SFC) memory layout and particle clusters. The neighbor list can be constructed efficiently on GPUs, supporting…