Project reference: 2024 Creating a mesh* – a discretized surface enclosing a given spatial object – is a compute-intensive task central to many scientific fields ranging from physics (Maxwell’s Eq., CFD, MD) to computational biology (PB, MM/PBSA, cryo-EM, Struct. Bio). …
Project reference: 2023 Nowadays, most High-Performance Computing (HPC) systems are clusters that are built out of shared-memory nodes. The nodes itself consist of several CPUs that provide a couple of cores where the code doing the actual computational work gets …
Project reference: 2022 As HPC systems get more heterogeneous in nature, it is sometimes feasible to have a single programming model can take a advantage of it. In some cases it is really beneficial where programmers do not need to …
Novel HPC Parallel Programming Models for Computing (both in CPU and GPU) Read More »
Project reference: 2021 CFD is solving time dependent partial differential equations (PDE) and PDE is solved by numerical approximation. Which brings the system of equations (matrices and vectors) that need to be solved either by direct or indirect solvers. These …
Project reference: 2020 Over the past decades a vast number of algorithms have been proposed to solve problems in combinatorial optimization either approximately or up to optimality. But despite the availability of high-performance infrastructure in recent years only a small …
Implementation of Paralllel Branch and Bound algorithm for combinatorial optimization Read More »
Project reference: 2019 Due to plasma complexity, different mathematical models depending on the different physical aspects are used for describing plasma. The most complete and used plasma description is the kinetic model, which describes the motion of each particle in …
Implementing task based parallelism for plasma kinetic code Read More »
Project reference: 2018 The project goal is creating a monitoring system to capture real-time information regarding the number of jobs running on HPC clusters, while integrating the work with DevOps and Continuous Integration practices and tools. The information regarding the …
Project reference: 2017 In the race for exascale, supercomputer architectures evolve fast and the variety of competitive hardware solutions has made benchmarking an increasingly important and difficult task for HPC specialists. Today, there is a growing interest from supercomputing centres …
Project reference: 2016 DPD is a stochastic particle method for mesoscale simulations of complex fluids. It is based on a coarse approximation of the molecular structure of soft materials, with beads that can represent large agglomerates or unions of simpler …
Project reference: 2015 The broad userbase of clusters is not familiar with the ins-and-outs of the systems they are working on and such familiarity is not really necessary. As a result many will enqueue jobs with maximum available run time …
Machine Learning for the rescheduling of SLURM jobs Read More »
Project reference: 2014 The deMon2k (density of Montréal) [1] is a software package for density functional theory (DFT) calculations. It uses the linear combination of Gaussian-type orbital (LCGTO) approach for the self-consistent solution of the Kohn-Sham (KS) DFT equations. RT-TDDFT …
Matrix exponentiation on GPU for the deMon2k code Read More »
Project reference: 2013 As scalable hardware for quantum computers becomes more of a reality, the development of a software stack and working applications becomes increasingly important; both to investigate what type of problems are well suited to quantum architectures and …
Quantum Genome Pattern Matching using Rigetti’s Forest API Read More »
Project reference: 2012 Today’s supercomputing hardware provides a tremendous amount of floating point operations (FLOPs). While CPUs are designed to minimize the latency of a stream of individual operations, GPUs try to maximize the throughput. However, GPU FLOPs can only …
Got your ducks in a row? GPU performance will show! Read More »
Project reference: 2011 Simulations of classical or quantum field theories often rely on a lattice discretized version of the underlying theory. For example, simulations of Lattice Quantum Chromodynamics (QCD, the theory of quarks and gluons) are used to study properties …
Project reference: 2010 Molecular simulations yield plenty of data which have to be processed to obtain desired results. Although the automatization of data verification is still better and better, there is still a necessity to check some properties by the …
Development of visualization tool for data from molecular simulations Read More »
Project reference: 2009 Deep neural networks (DNNs) are evaluated and used in many areas today, to replace or complement traditional technologies. In this project the student will develop a DNN to detect and localize selected objects in images. As object …
Object Detection Using Deep Neural Networks – AI from HPC to the Edge Read More »
Project reference: 2008 A Breadth First Search (BFS) is one of the core graph based searching algorithms. It can run in O(N + E), where N is the number of vertices and E is the number of edges of the …
GPU acceleration of Breadth First Search algorithm in applications of Social Networks Read More »
Project reference: 2007 Python is widely used in scientific research for tasks such as data processing, analysis and visualisation. However, it is not yet widely used for large-scale modelling and simulation on high performance computers due to its poor performance …
Performance of Parallel Python Programs on New HPC Architectures Read More »
Project reference: 2006 The aim of this project is to explore the limits of our fully ARM-based HPC cluster, Fulhame. This a relatively new cluster and whilst some codes and libraries are already ported and optimised, there is a lot …
Porting and benchmarking on a fully ARM-based cluster Read More »
Project reference: 2005 Charm++ is an open source, parallel programming framework in C++, supported by an adaptive runtime system. It uses objects called chares which hold data, and methods to act on that data, which can be invoked emotely by …
