Simon D. Smart
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View article: Polytope: an algorithm for efficient feature extraction on hypercubes
Polytope: an algorithm for efficient feature extraction on hypercubes Open
Data extraction algorithms on data hypercubes, or datacubes, are traditionally only capable of cutting boxes of data along the datacube axes. For many use cases however, this returns much more data than users actually need, leading to an u…
View article: The I-CHANGE Dashboard: A tool for raising awareness and triggering behavioural change
The I-CHANGE Dashboard: A tool for raising awareness and triggering behavioural change Open
As urban areas face increasing threats from climate change, citizen science has emerged as an important tool to engage communities in monitoring and responding to environmental challenges, thus filling in the gap which existing tools are n…
View article: Exploring DAOS Interfaces and Performance
Exploring DAOS Interfaces and Performance Open
Distributed Asynchronous Object Store (DAOS) is a novel software-defined object store leveraging Non-Volatile Memory (NVM) devices, designed for high performance. It provides a number of interfaces for applications to undertake I/O, rangin…
View article: MultIO: A Framework for Message-Driven Data Routing For Weather and Climate Simulations
MultIO: A Framework for Message-Driven Data Routing For Weather and Climate Simulations Open
In numerical weather prediction and high-performance computing, the primary computational bottleneck has gradually evolved from floating-point arithmetic to the throughput of data to and from the storage. This phenomenon is commonly referr…
View article: Reducing the Impact of I/O Contention in Numerical Weather Prediction Workflows at Scale Using DAOS
Reducing the Impact of I/O Contention in Numerical Weather Prediction Workflows at Scale Using DAOS Open
Operational Numerical Weather Prediction (NWP) workflows are highly data-intensive. Data volumes have increased by many orders of magnitude over the last 40 years, and are expected to continue to do so, especially given the upcoming adopti…
View article: Reducing the Impact of I/O Contention in Numerical Weather Prediction Workflows at Scale Using DAOS
Reducing the Impact of I/O Contention in Numerical Weather Prediction Workflows at Scale Using DAOS Open
Operational Numerical Weather Prediction (NWP) workflows are highly data-intensive. Data volumes have increased by many orders of magnitude over the last 40 years, and are expected to continue to do so, especially given the upcoming adopti…
View article: Performance Comparison of DAOS and Lustre for Object Data Storage Approaches
Performance Comparison of DAOS and Lustre for Object Data Storage Approaches Open
High-performance object stores are an emerging technology which offers an alternative solution in the field of HPC storage, with potential to address long-standing scalability issues in traditional distributed POSIX file systems due to exc…
View article: DAOS as HPC Storage, a view from Numerical Weather Prediction
DAOS as HPC Storage, a view from Numerical Weather Prediction Open
Object storage solutions potentially address long-standing performance issues with POSIX file systems for certain I/O workloads, and new storage technologies offer promising performance characteristics for data-intensive use cases. In this…
View article: An early evaluation of Intel's optane DC persistent memory module and its impact on high-performance scientific applications
An early evaluation of Intel's optane DC persistent memory module and its impact on high-performance scientific applications Open
Memory and I/O performance bottlenecks in supercomputing simulations are two key challenges that must be addressed on the road to Exascale. The new byte-addressable persistent non-volatile memory technology from Intel, DCPMM, promises to b…
View article: Efficient formulation of full configuration interaction quantum Monte Carlo in a spin eigenbasis via the graphical unitary group approach
Efficient formulation of full configuration interaction quantum Monte Carlo in a spin eigenbasis via the graphical unitary group approach Open
We provide a spin-adapted formulation of the Full Configuration Interaction Quantum Monte Carlo (FCIQMC) algorithm, based on the Graphical Unitary Group Approach (GUGA), which enables the exploitation of SU(2) symmetry within this stochast…
View article: A High-Performance Distributed Object-Store for Exascale Numerical Weather Prediction and Climate
A High-Performance Distributed Object-Store for Exascale Numerical Weather Prediction and Climate Open
Numerical Weather Prediction (NWP) and Climate simulations sit at the intersection between classically understood High Performance Computing (HPC) and Big Data / High Performance Data Analytics (HPDA). Driven by ever more ambitious scienti…
View article: A Scalable Object Store for Meteorological and Climate Data
A Scalable Object Store for Meteorological and Climate Data Open
Numerical Weather Prediction (NWP) and Climate simulations sit in the intersection between classically understood High Performance Computing (HPC) and the Big Data / High Performance Data Analytics (HPDA) communities. Driven by ever more a…
View article: An excited-state approach within full configuration interaction quantum Monte Carlo
An excited-state approach within full configuration interaction quantum Monte Carlo Open
We present a new approach to calculate excited states with the full configuration interaction quantum Monte Carlo (FCIQMC) method. The approach uses a Gram-Schmidt procedure, instantaneously applied to the stochastically evolving distribut…