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
Al-Refaie A
(2024)
FRECKLL: Full and Reduced Exoplanet Chemical Kinetics DistiLLed
in The Astrophysical Journal
Zhu Y
(2022)
Long Dark Gaps in the Ly ß Forest at z < 6: Evidence of Ultra-late Reionization from XQR-30 Spectra
in The Astrophysical Journal
Hall C
(2019)
The Temporal Requirements of Directly Observing Self-gravitating Spiral Waves in Protoplanetary Disks with ALMA
in The Astrophysical Journal
Hellinger P
(2022)
Ion-scale Transition of Plasma Turbulence: Pressure-Strain Effect
in The Astrophysical Journal
Beg R
(2022)
Evolution, Structure, and Topology of Self-generated Turbulent Reconnection Layers
in The Astrophysical Journal
Pedersen C
(2023)
Compressing the Cosmological Information in One-dimensional Correlations of the Lyman-a Forest
in The Astrophysical Journal
Monnier J
(2019)
Multiple Spiral Arms in the Disk around Intermediate-mass Binary HD 34700A
in The Astrophysical Journal
Zhu Y
(2021)
Chasing the Tail of Cosmic Reionization with Dark Gap Statistics in the Lya Forest over 5 < z < 6
in The Astrophysical Journal
Edwards B
(2024)
Measuring Tracers of Planet Formation in the Atmosphere of WASP-77A b: Substellar O/H and C/H Ratios, with a Stellar C/O Ratio and a Potentially Superstellar Ti/H Ratio
in The Astrophysical Journal Letters
Shingles L
(2023)
Self-consistent 3D Radiative Transfer for Kilonovae: Directional Spectra from Merger Simulations
in The Astrophysical Journal Letters
Tillman M
(2023)
Efficient Long-range Active Galactic Nuclei (AGNs) Feedback Affects the Low-redshift Lya Forest
in The Astrophysical Journal Letters
Edwards B
(2023)
Exploring the Ability of Hubble Space Telescope WFC3 G141 to Uncover Trends in Populations of Exoplanet Atmospheres through a Homogeneous Transmission Survey of 70 Gaseous Planets
in The Astrophysical Journal Supplement Series
Changeat Q
(2022)
Five Key Exoplanet Questions Answered via the Analysis of 25 Hot-Jupiter Atmospheres in Eclipse
in The Astrophysical Journal Supplement Series
Changeat Q
(2024)
Is the Atmosphere of the Ultra-hot Jupiter WASP-121 b Variable?
in The Astrophysical Journal Supplement Series
Pontzen A
(2018)
TANGOS: The Agile Numerical Galaxy Organization System
in The Astrophysical Journal Supplement Series
Buividovich P
(2021)
Static magnetic susceptibility in finite-density $$SU\left( 2\right) $$ lattice gauge theory
in The European Physical Journal A
Makek M
(2016)
Differential cross section measurement of the 12C(e,e'pp)10Beg.s. reaction
in The European Physical Journal A
Chang C
(2023)
Global fits of simplified models for dark matter with GAMBIT I. Scalar and fermionic models with s-channel vector mediators
in The European Physical Journal C
Drach V
(2022)
Singlet channel scattering in a composite Higgs model on the lattice
in The European Physical Journal C
Chang C
(2023)
Global fits of simplified models for dark matter with GAMBIT II. Vector dark matter with an s-channel vector mediator
in The European Physical Journal C
Gonzalo T
(2024)
PEANUTS: a software for the automatic computation of solar neutrino flux and its propagation within Earth
in The European Physical Journal C
Del Debbio L
(2018)
Large-order NSPT for lattice gauge theories with fermions: the plaquette in massless QCD.
in The European physical journal. C, Particles and fields
Owens A
(2019)
Theoretical rotation-vibration spectroscopy of cis- and trans-diphosphene (P2H2) and the deuterated species P2HD.
in The Journal of chemical physics
Somogyi W
(2021)
Calculation of electric quadrupole linestrengths for diatomic molecules: Application to the H2, CO, HF, and O2 molecules.
in The Journal of chemical physics
Yachmenev A
(2022)
The nuclear-spin-forbidden rovibrational transitions of water from first principles.
in The Journal of chemical physics
Yachmenev A
(2021)
Electric quadrupole transitions in carbon dioxide.
in The Journal of chemical physics
Hands S
(2021)
Planar Thirring Model in the U(2$N$)-symmetric limit
Hergt L
(2022)
Finite inflation in curved space
Sartorio N
(2023)
Population III X-ray Binaries and their Impact on the Early Universe
Rosca-Mead R
(2020)
Structure of neutron stars in massive scalar-tensor gravity
Figueras P
(2021)
Black Hole Binaries in Cubic Horndeski Theories
Croft R
(2022)
The Gravitational Afterglow of Boson Stars
Etherington A
(2022)
Automated galaxy-galaxy strong lens modelling: no lens left behind
Al-Refaie A
(2022)
FRECKLL: Full and Reduced Exoplanet Chemical Kinetics distiLLed
Schönrich R
(2019)
Distances and parallax bias in Gaia DR2
| 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 |