DiRAC 2.5 - the pathway to DiRAC Phase 3
Lead Research Organisation:
University of Leicester
Department Name: Physics and Astronomy
Abstract
Physicists across the astronomy, nuclear and particle physics communities are focussed
on understanding how the Universe works at a very fundamental level. The distance scales
with which they work vary by 50 orders of magnitude from the smallest distances probed
by experiments at the Large Hadron Collider, deep within the atomic
nucleus, to the largest scale galaxy clusters discovered out in space. The Science challenges,
however, are linked through questions such as: How did the Universe begin and how is it evolving?
and What are the fundamental constituents and fabric of the Universe and how do they interact?
Progress requires new astronomical observations and experimental data but also
new theoretical insights. Theoretical understanding comes increasingly from large-scale
computations that allow us to confront the consequences of our theories very accurately
with the data or allow us to interrogate the data in detail to extract information that has
impact on our theories. These computations test the fastest computers that we have and
push the boundaries of technology in this sector. They also provide an excellent
environment for training students in state-of-the-art techniques for code optimisation and
data mining and visualisation.
The DiRAC-2.5 project builds on the success of the DiRAC HPC facility and will provide the resources needed
to support cutting edge research during 2017 in all areas of science supported by STFC.
In particular, DiRAC-2.5 will provide:
1) A factor 2 increase in the computational power of the DiRAC supercomputer at the University of Durham, which is designed for simulations requiring large amounts of computer memory. The enhanced system will be used to:
(i) simulate the merger of pairs of black holes which generate gravitational waves such as those recently discovered by the LIGO consortium;
(ii) perform the most realistic simulations to date of the formation and evolution of galaxies in the Universe
(iii) carry out detailed simulations of the interior of the sun and of planetary interiors.
2) A new High Performance Computer whose particular architecture is well suited to the theoretical
problems that we want to tackle that utilise large amounts of data, either as input or
being generated at intermediate stages of our calculations. Two key challenges
that we will tackle are those of
(i) improving our understanding of the Milky Way through analysis of new data from the European
Space Agency's GAIA satellite and
(ii) improving the potential of experiments at CERN's Large Hadron Collider for discovery
of new physics by increasing the accuracy of theoretical predictions for rare processes involving the
fundamental constituents of matter known as quarks.
on understanding how the Universe works at a very fundamental level. The distance scales
with which they work vary by 50 orders of magnitude from the smallest distances probed
by experiments at the Large Hadron Collider, deep within the atomic
nucleus, to the largest scale galaxy clusters discovered out in space. The Science challenges,
however, are linked through questions such as: How did the Universe begin and how is it evolving?
and What are the fundamental constituents and fabric of the Universe and how do they interact?
Progress requires new astronomical observations and experimental data but also
new theoretical insights. Theoretical understanding comes increasingly from large-scale
computations that allow us to confront the consequences of our theories very accurately
with the data or allow us to interrogate the data in detail to extract information that has
impact on our theories. These computations test the fastest computers that we have and
push the boundaries of technology in this sector. They also provide an excellent
environment for training students in state-of-the-art techniques for code optimisation and
data mining and visualisation.
The DiRAC-2.5 project builds on the success of the DiRAC HPC facility and will provide the resources needed
to support cutting edge research during 2017 in all areas of science supported by STFC.
In particular, DiRAC-2.5 will provide:
1) A factor 2 increase in the computational power of the DiRAC supercomputer at the University of Durham, which is designed for simulations requiring large amounts of computer memory. The enhanced system will be used to:
(i) simulate the merger of pairs of black holes which generate gravitational waves such as those recently discovered by the LIGO consortium;
(ii) perform the most realistic simulations to date of the formation and evolution of galaxies in the Universe
(iii) carry out detailed simulations of the interior of the sun and of planetary interiors.
2) A new High Performance Computer whose particular architecture is well suited to the theoretical
problems that we want to tackle that utilise large amounts of data, either as input or
being generated at intermediate stages of our calculations. Two key challenges
that we will tackle are those of
(i) improving our understanding of the Milky Way through analysis of new data from the European
Space Agency's GAIA satellite and
(ii) improving the potential of experiments at CERN's Large Hadron Collider for discovery
of new physics by increasing the accuracy of theoretical predictions for rare processes involving the
fundamental constituents of matter known as quarks.
Planned Impact
The expected impact of DiRAC-2.5 is fully described in the pathways to impact section of the case for support and includes:
1) Disseminating best practice in High Performance Computing software engineering throughout the theoretical Particle Physics, Astronomy and Nuclear physics communities in the UK as well as to industry partners.
2) Working on co-design projects with industry partners to improve future generations of hardware and software.
3) Development of new techniques in the area of High Performance Data Analytics which will benefit industry partners and researchers in other fields such as biomedicine, biology, engineering, economics and social science, and the natural environment who can use this new technology to improve research outcomes in their areas.
4) Share best practice on the design and operation of distributed HPC facilities with UK National e-Infrastructure partners.
5) Training of the next generation of research scientists of physical scientists to tackle problems effectively on state-of-the-art of High Performance Computing facilities. Such skills are much in demand from high-tech industry.
6) Engagement with the general public to promote interest in science, and to explain how our ability to solve complex problems using the latest computer technology leads to new scientific capabilities/insights. Engagement of this kind also naturally encourages the uptake of STEM subjects in schools.
1) Disseminating best practice in High Performance Computing software engineering throughout the theoretical Particle Physics, Astronomy and Nuclear physics communities in the UK as well as to industry partners.
2) Working on co-design projects with industry partners to improve future generations of hardware and software.
3) Development of new techniques in the area of High Performance Data Analytics which will benefit industry partners and researchers in other fields such as biomedicine, biology, engineering, economics and social science, and the natural environment who can use this new technology to improve research outcomes in their areas.
4) Share best practice on the design and operation of distributed HPC facilities with UK National e-Infrastructure partners.
5) Training of the next generation of research scientists of physical scientists to tackle problems effectively on state-of-the-art of High Performance Computing facilities. Such skills are much in demand from high-tech industry.
6) Engagement with the general public to promote interest in science, and to explain how our ability to solve complex problems using the latest computer technology leads to new scientific capabilities/insights. Engagement of this kind also naturally encourages the uptake of STEM subjects in schools.
Publications
Mellor T
(2023)
MARVEL analysis of high-resolution spectra of thioformaldehyde (H 2 CS)
in Journal of Molecular Spectroscopy
Ceuster F
(2022)
3D Line Radiative Transfer & Synthetic Observations with Magritte
in Journal of Open Source Software
Appleby S
(2023)
Mapping circumgalactic medium observations to theory using machine learning
in Monthly Notices of the Royal Astronomical Society
Wurster J
(2018)
The effect of extreme ionization rates during the initial collapse of a molecular cloud core
in Monthly Notices of the Royal Astronomical Society
Sembolini F
(2016)
nIFTy galaxy cluster simulations - II. Radiative models
in Monthly Notices of the Royal Astronomical Society
Cui W
(2016)
nIFTy galaxy cluster simulations - IV. Quantifying the influence of baryons on halo properties
in Monthly Notices of the Royal Astronomical Society
Nightingale J
(2024)
Scanning for dark matter subhaloes in Hubble Space Telescope imaging of 54 strong lenses
in Monthly Notices of the Royal Astronomical Society
Schönrich R
(2019)
Distances and parallax bias in Gaia DR2
in Monthly Notices of the Royal Astronomical Society
Mellor T
(2023)
ExoMol line lists - XLVIII. High-temperature line list of thioformaldehyde (H2CS)
in Monthly Notices of the Royal Astronomical Society
Dipierro G
(2018)
Gas and multispecies dust dynamics in viscous protoplanetary discs: the importance of the dust back-reaction
in Monthly Notices of the Royal Astronomical Society
De Belsunce R
(2023)
B -mode constraints from Planck low-multipole polarization data
in Monthly Notices of the Royal Astronomical Society
Shen S
(2017)
Chemical enrichment of stars due to accretion from the ISM during the Galaxy's assembly
in Monthly Notices of the Royal Astronomical Society
Talbot R
(2024)
Simulations of spin-driven AGN jets in gas-rich galaxy mergers
in Monthly Notices of the Royal Astronomical Society
Kirchschlager F
(2019)
Dust survival rates in clumps passing through the Cas A reverse shock - I. Results for a range of clump densities
in Monthly Notices of the Royal Astronomical Society
Arthur J
(2017)
nIFTy galaxy cluster simulations - V. Investigation of the cluster infall region
in Monthly Notices of the Royal Astronomical Society
Kimm T
(2017)
Feedback-regulated star formation and escape of LyC photons from mini-haloes during reionisation
in Monthly Notices of the Royal Astronomical Society
Martin G
(2018)
Normal black holes in bulge-less galaxies: the largely quiescent, merger-free growth of black holes over cosmic time
in Monthly Notices of the Royal Astronomical Society
Hogg M
(2021)
The effect of a magnetic field on the dynamics of debris discs around white dwarfs
in Monthly Notices of the Royal Astronomical Society
Scardoni C
(2022)
Inward and outward migration of massive planets: moving towards a stalling radius
in Monthly Notices of the Royal Astronomical Society
Nayakshin S.
(2020)
The paradox of youth for ALMA planet candidates
in Monthly Notices of the Royal Astronomical Society
Kirchschlager F
(2023)
Dust survival rates in clumps passing through the Cas A reverse shock - II. The impact of magnetic fields
in Monthly Notices of the Royal Astronomical Society
Dome T
(2024)
Modelling post-reionization H i distributions in fuzzy dark matter cosmologies using conditional normalizing flows
in Monthly Notices of the Royal Astronomical Society
Appleby S
(2023)
The physical nature of circumgalactic medium absorbers in Simba
in Monthly Notices of the Royal Astronomical Society
Beckmann R
(2018)
Bondi or not Bondi: the impact of resolution on accretion and drag force modelling for supermassive black holes
in Monthly Notices of the Royal Astronomical Society
Description | Many new discoveries about the formation and evolution of galaxies, star formation, planet formation have been made possible by the award. |
Exploitation Route | Many international collaborative projects are supported by the HPC resources provided by DiRAC. |
Sectors | Digital/Communication/Information Technologies (including Software),Education |
URL | http://www.dirac.ac.uk |
Description | Major co-design project with Hewlett Packard Enterprise, including partnership in the HPE/Arm/Suse Catalyst UK programme. |
First Year Of Impact | 2017 |
Sector | Digital/Communication/Information Technologies (including Software) |
Impact Types | Societal |
Description | DiRAC 2.5x Project Office 2017-2020 |
Amount | £300,000 (GBP) |
Organisation | Science and Technologies Facilities Council (STFC) |
Sector | Public |
Country | United Kingdom |
Start | 02/2018 |
End | 03/2020 |
Title | Citation analysys and Impact |
Description | Use of IT to determineacademic impact of eInfrastructure |
Type Of Material | Improvements to research infrastructure |
Year Produced | 2017 |
Provided To Others? | Yes |
Impact | Understood emerging trends in DiRAC Science and helped decide the scale and type of IT investments and direct us to develop new technologies |
URL | http://www.dirac.ac.uk |
Description | Co-design project with Hewlett Packard Enterprise |
Organisation | Hewlett Packard Enterprise (HPE) |
Country | United Kingdom |
Sector | Private |
PI Contribution | Technical support and operations costs for running the hardware. Research workflows to test the system performance, and investment of academic time and software engineering time to optimise code for new hardware. Project will explore suitability of hardware for DiRAC workflows and provide feedback to HPE. |
Collaborator Contribution | In-kind provision of research computing hardware. Value is commercially confidential. |
Impact | As this collaboration is about to commence, there are no outcomes to report at this point. |
Start Year | 2018 |
Description | Nuclei from Lattice QCD |
Organisation | RIKEN |
Department | RIKEN-Nishina Center for Accelerator-Based Science |
Country | Japan |
Sector | Public |
PI Contribution | Surrey performed ab initio studies of LQCD-derived nuclear forces |
Collaborator Contribution | Work by Prof. Hatsuda and collaborators at the iTHEMS and Quantum Hadron Physics Laboratory to provide nuclear forces derived from LQCD |
Impact | Phys. Rev. C 97, 021303(R) |
Start Year | 2015 |
Description | STFC Centres for Doctoral Training in Data Intensive Science |
Organisation | University of Leicester |
Department | STFC DiRAC Complexity Cluster (HPC Facility Leicester) |
Country | United Kingdom |
Sector | Academic/University |
PI Contribution | Support for STFC Centres for Doctoral Training (CDT) in Data Intensive Science - DiRAC is a partner in five of the eight of the newly established STFC CDTs, and is actively engaged with them in developing industrial partnerships. DiRAC is also offering placements to CDT students interested in Research Software Engineering roles. |
Collaborator Contribution | Students to work on interesting technical problems for DiRAC |
Impact | This is the first year |
Start Year | 2017 |
Description | Surrey-Saclay |
Organisation | Saclay Nuclear Research Centre |
Country | France |
Sector | Public |
PI Contribution | Provided codes and know-how to develop GF Gorkov formalism and implementation. |
Collaborator Contribution | Help spreading and advertise my research |
Impact | Presentation of preliminary results at conference. Grant still ongoing. Results being written up. Output will be first ab-initio calculation of fully open shells. |
Start Year | 2010 |