Risultati finali
Interim report about our progress in employing multiscale computing patterns in actual scientific applications. It will contain an assessment of the efficacy of the patterns as well as recommendations and best practices for their instantiation.
Report on Application Software ReadinessReport the specific requirements of the applications as identified during Task 3.1.
Quality Assurance PlanTo manage and support the project Quality Control, a documented Quality Assurance Plan will be set up and maintained to monitor all deliverables before finalising them. The deliverable also contains a detailed risk analysis and contingency planning.
First Dissemination ReportReview events and dissemination results of past year and proposes actions for the coming one, including update of dissemination action plan.
First progress report on the Experimental Execution EnvironmentThis deliverable will present the progress in the installation, configuration, and usage of the Experimental Execution Environment. This deliverable will also include the first version of the ComPat Experimental Execution Environment user guide.
Report on integration of ComPat services with multiscale coupling libraries and patternsA document describing the final integration of ComPat services with multiscale coupling libraries and patterns including references to ComPat applications executed on the ComPat Pan-European Experimental Execution Environment.
Report and software on design of tools and required actions to support performance tools for multiscaleReport on an analyses of the requirements for the tools (debug, profile and analyse performance) and design and architecture of a solution appropriate to support the multiscale patterns.
Architecture of the ComPat systemA document describing the overall architecture of the ComPat system including relationships between developed in the project toolkits and services.
Report on Existing Software Suitability and AdaptationReport on what software will be used in the project, how it compares to other software packages, and outline a detailed plan for their adaptation and integration, as well as report on MML implementation and status report on implementation of the multiscale computing patterns.
Final report on the Experimental Execution EnvironmentAn update of deliverable D6.3.
Final report on high level tools, including performance profiling and modellingReport on the status of the tools, and on the validation of the impact of measurement and analysis on the applications – and on the accuracy of the modelling tools as applied to simulations at the scales of machines available during the latter months of the project.
Report on the assessment of operational procedures and definition of the ComPat operational modelReport on Instantiating Computing Patterns and performance measurements and prediction of HPMC Application
Report on the performance of all selected multiscale applications as measured on the Experimental Execution Environment and other available resources. It will give a detailed account of various metrics of resource usage, including wall clock time, data throughput, scalability and energy consumption. It will furnish detailed performance predictions for all selected multiscale applications on future exascale systems. This report will, as a major outcome of this project, present a forecast of the actual impact that exascale resources may have on future science applications by leveraging extreme parallelism.
Final Report on Multiscale Computing Patterns, including their PerformanceFinal report on the performance of all selected multiscale applications as measured on the Experimental Execution Environment and selected production environments. It will give a detailed account of various metrics of resource usage, including wall clock time, data throughput, scalability and energy consumption. It will also provide a detailed account on the performance prediction models.
First Report on Multiscale Computing Patterns and AlgorithmsFirst report on the algorithms and components used to construct the Multiscale Computing Patterns, details of the actual implementation, and preliminary results on performance measurements.
First Report on status of performance profiling of multiscale simulationsFirst report on an analysis of the changes and impact on the initial simulations using the initial tools, including any architectural changes required since D4.1.
First Report on ComPat middleware servicesA document summarizing the status of development of services offering a set of key capabilities for toolkits and patterns from WP2, including QoS on computational Tier-0/1 resources, dynamic multi-cluster co-allocation of resources, energy optimization and multi-cluster deployment and execution of ComPat multiscale simulations consisting of cooperating sub-models.
Third Dissemination ReportReview events and dissemination results of second project period.
Second Dissemination ReportReview events and dissemination results and propose actions for the coming one, including update of dissemination action plan.
Detailed Dissemination Action planProject Handbook
To ensure a consistent implementation of the management of the project, UvA will produce a project procedure handbook that will be easily accessible to all Partners.
Pubblicazioni
Autori:
Dakka, Jumana; Turilli, Matteo; Wright, David W; Zasada, Stefan J; Balasubramanian, Vivek; Wan, Shunzhou; Coveney, Peter V; Jha, Shantenu
Pubblicato in:
BioMed Central, Numero 1, 2018
Editore:
Springer Nature
Autori:
A. G. Hoekstra, B. Chopard, D. Coster, S. Portegies Zwar, P. V. Coveney
Pubblicato in:
2018
Editore:
The Royal Society Publishing
DOI:
10.1098/rsta.2018.0144
Autori:
M. Vassaux, R. Richardson, P. V. Coveney
Pubblicato in:
2018
Editore:
The Royal Society Publishing
DOI:
10.1098/rsta.2018.0150
Autori:
O. O. Luk, O. Hoenen, O. Perks, K. Brabazon, T. Piontek, P. Kopta, B. Bosak, A. Bottino, B. D. Scott, D. P. Coster
Pubblicato in:
2018
Editore:
The Royal Society
DOI:
10.1098/rsta.2018.0152
Autori:
O. Luk, O. Hoenen, A. Bottino, B. Scott, D. Coster
Pubblicato in:
Computer Physics Communications, 2018
Editore:
Elsevier
Autori:
S. Alowayyed, V. Azizi, G. Zavodszky and A. G. Hoekstra
Pubblicato in:
Computer Physics Communications, 2018
Editore:
Elsevier
Autori:
V. Jancauskas, T. Piontek, P. Kopta, B. Bosak
Pubblicato in:
Philosophical Transactions of the Royal Society, 2018
Editore:
The Royal Society
Autori:
D. Groen
Pubblicato in:
ICCS 2018, Springer Lecture Notes in Computer Science (LNCS), 2018
Editore:
Springer
Autori:
N. T. Chan, D. Suleimenova, D. Bell, D. Groen
Pubblicato in:
Proceedings of the Operational Research Society Simulation Workshop 2018, 2018
Editore:
The Operational Research Society
Autori:
Sauro Succi, Peter V. Coveney
Pubblicato in:
Phil Trans R Soc (Series A), 2018
Editore:
The Royal Society
DOI:
10.1098/rsta.2018.0145
Autori:
S. J. Zasada and P. V. Coveney
Pubblicato in:
CoRR, 2015
Editore:
Cornell University Library
Autori:
D. Groen, J. Knap, P. Neumann, D. Suleimenova, L. Veen, K. Leiter
Pubblicato in:
Philosophical Transactions A: Mathematical, Physical and Engineering Sciences, 2018
Editore:
The Royal Society
DOI:
10.1098/rsta.2018.0147
Autori:
Penny Xuran Qian, Maxwell Xu Cai, Simon Portegies Zwart, Ming Zhu
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Publications of the Astronomical Society of the Pacific, Numero 129/979, 2017, Pagina/e 094503, ISSN 0004-6280
Editore:
University of Chicago Press
DOI:
10.1088/1538-3873/aa7c49
Autori:
Agastya P. Bhati, Shunzhou Wan, Yuan Hu, Brad Sherborne, Peter V. Coveney
Pubblicato in:
Journal of Chemical Theory and Computation, Numero 14/6, 2018, Pagina/e 2867-2880, ISSN 1549-9618
Editore:
American Chemical Society
DOI:
10.1021/acs.jctc.7b01143
Autori:
R. Charlotte Eccleston, Shunzhou Wan, Neil Dalchau, Peter V. Coveney
Pubblicato in:
Frontiers in Immunology, Numero 8, 2017, ISSN 1664-3224
Editore:
Frontiers
DOI:
10.3389/fimmu.2017.00797
Autori:
Gábor Závodszky, Britt van Rooij, Victor Azizi, Alfons Hoekstra
Pubblicato in:
Frontiers in Physiology, Numero 8, 2017, Pagina/e 563, ISSN 1664-042X
Editore:
Frontiers Research Foundation
DOI:
10.3389/fphys.2017.00563
Autori:
Derek Groen, Robin A. Richardson, Rachel Coy, Ulf D. Schiller, Hoskote Chandrashekar, Fergus Robertson, Peter V. Coveney
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Frontiers in Physiology, Numero 9, 2018, ISSN 1664-042X
Editore:
Frontiers Research Foundation
DOI:
10.3389/fphys.2018.00721
Autori:
S. Alowayyed, G. Závodszky, V. Azizi, A.G. Hoekstra
Pubblicato in:
Journal of Computational Science, Numero 24, 2018, Pagina/e 1-7, ISSN 1877-7503
Editore:
Elsevier BV
DOI:
10.1016/j.jocs.2017.11.008
Autori:
Adrian S Hamers, Maxwell X Cai, Javier Roa, Nathan Leigh
Pubblicato in:
Monthly Notices of the Royal Astronomical Society, Numero 480/3, 2018, Pagina/e 3800-3811, ISSN 0035-8711
Editore:
Blackwell Publishing Inc.
DOI:
10.1093/mnras/sty2117
Autori:
Saad Alowayyed, Derek Groen, Peter V. Coveney, Alfons G. Hoekstra
Pubblicato in:
Journal of Computational Science, Numero 22, 2017, Pagina/e 15-25, ISSN 1877-7503
Editore:
Elsevier BV
DOI:
10.1016/j.jocs.2017.07.004
Autori:
Robert C. Sinclair, James L. Suter, Peter V. Coveney
Pubblicato in:
Advanced Materials, Numero 30/13, 2018, Pagina/e 1705791, ISSN 0935-9648
Editore:
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DOI:
10.1002/adma.201705791
Autori:
Inti Pelupessy, Ben van Werkhoven, Arjen van Elteren, Jan Viebahn, Adam Candy, Simon Portegies Zwart, Henk Dijkstra
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Geoscientific Model Development, Numero 10/8, 2017, Pagina/e 3167-3187, ISSN 1991-9603
Editore:
Copernicus Publications
DOI:
10.5194/gmd-10-3167-2017
Autori:
Simon F. Portegies Zwart, Tjarda C.N. Boekholt
Pubblicato in:
Communications in Nonlinear Science and Numerical Simulation, Numero 61, 2018, Pagina/e 160-166, ISSN 1007-5704
Editore:
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DOI:
10.1016/j.cnsns.2018.02.002
Autori:
James L. Suter, Peter V. Coveney
Pubblicato in:
ACS Omega, Numero 3/6, 2018, Pagina/e 6439-6445, ISSN 2470-1343
Editore:
ACS
DOI:
10.1021/acsomega.8b00542
Autori:
Pavel S. Zun, Tatiana Anikina, Andrew Svitenkov, Alfons G. Hoekstra
Pubblicato in:
Frontiers in Physiology, Numero 8, 2017, ISSN 1664-042X
Editore:
Frontiers Research Foundation
DOI:
10.3389/fphys.2017.00284
Autori:
Maxwell Xu Cai, Simon Portegies Zwart, Arjen van Elteren
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Monthly Notices of the Royal Astronomical Society, Numero 474/4, 2017, Pagina/e 5114-5121, ISSN 0035-8711
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Editore:
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Autori:
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Biophysical Journal, Numero 114/9, 2018, Pagina/e 2052-2058, ISSN 0006-3495
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Editore:
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Autori:
Maxwell Xu Cai (蔡栩), M. B. N. Kouwenhoven, Simon F. Portegies Zwart, Rainer Spurzem
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Editore:
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Autori:
Alex Rimoldi, Simon Portegies Zwart, Elena Maria Rossi
Pubblicato in:
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Editore:
Springer
DOI:
10.1186/s40668-016-0015-4
Autori:
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Pubblicato in:
Procedia Computer Science, Numero 108, 2017, Pagina/e 159-165, ISSN 1877-0509
Editore:
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DOI:
10.1016/j.procs.2017.05.084
Autori:
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Computational Astrophysics and Cosmology, Numero 3/1, 2016, ISSN 2197-7909
Editore:
Springer
DOI:
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Autori:
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Pubblicato in:
Physical Chemistry Chemical Physics, Numero 18/44, 2016, Pagina/e 30236-30240, ISSN 1463-9076
Editore:
Royal Society of Chemistry
DOI:
10.1039/c6cp02349e
Autori:
Anna Nikishova, Lourens Veen, Pavel Zun, Alfons G. Hoekstra
Pubblicato in:
Cardiovascular Engineering and Technology, 2018, ISSN 1869-408X
Editore:
Springer Pub. Co.,
DOI:
10.1007/s13239-018-00372-4
Autori:
Simon Portegies Zwart, Santiago Torres, Inti Pelupessy, Jeroen Bédorf, Maxwell X Cai
Pubblicato in:
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Editore:
Blackwell Publishing
DOI:
10.1093/mnrasl/sly088
Autori:
Bastien Chopard, Jean-Luc Falcone, Pierre Kunzli, Lourens Veen, Alfons Hoekstra
Pubblicato in:
Multiscale and Multidisciplinary Modeling, Experiments and Design, Numero 1/1, 2018, Pagina/e 57-68, ISSN 2520-8160
Editore:
Springer
DOI:
10.1007/s41939-017-0006-4
Autori:
S. Alowayyed, T. Piontek, J.L. Suter, O. Hoenen, D. Groen, O. Luk, B. Bosak, P. Kopta, K. Kurowski, O. Perks, K. Brabazon, V. Jancauskas, D. Coster, P.V. Coveney, A.G. Hoekstra
Pubblicato in:
Future Generation Computer Systems, Numero 91, 2019, Pagina/e 335-346, ISSN 0167-739X
Editore:
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DOI:
10.1016/j.future.2018.08.045
Autori:
Alfons G. Hoekstra, Saad Alowayyed, Eric Lorenz, Natalia Melnikova, Lampros Mountrakis, Britt van Rooij, Andrew Svitenkov, Gábor Závodszky, Pavel Zun
Pubblicato in:
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Numero 374/2080, 2016, Pagina/e 20160146, ISSN 1364-503X
Editore:
Royal Society of London
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10.1098/rsta.2016.0146
Autori:
Shunzhou Wan, Agastya P. Bhati, Stefan J. Zasada, Ian Wall, Darren Green, Paul Bamborough, Peter V. Coveney
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Editore:
American Chemical Society
DOI:
10.1021/acs.jctc.6b00794
Autori:
Derek Groen, Agastya P. Bhati, James Suter, James Hetherington, Stefan J. Zasada, Peter V. Coveney
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Editore:
Elsevier BV
DOI:
10.1016/j.cpc.2016.05.020
Autori:
James L. Suter, Derek Groen, Peter V. Coveney
Pubblicato in:
Nano Letters, Numero 15/12, 2015, Pagina/e 8108-8113, ISSN 1530-6984
Editore:
American Chemical Society
DOI:
10.1021/acs.nanolett.5b03547
Autori:
S. Schmieschek, L. Shamardin, S. Frijters, T. Krüger, U.D. Schiller, J. Harting, P.V. Coveney
Pubblicato in:
Computer Physics Communications, 2017, ISSN 0010-4655
Editore:
Elsevier BV
DOI:
10.1016/j.cpc.2017.03.013
Autori:
Shunzhou Wan, Agastya P. Bhati, Sarah Skerratt, Kiyoyuki Omoto, Veerabahu Shanmugasundaram, Sharan K. Bagal, Peter V. Coveney
Pubblicato in:
Journal of Chemical Information and Modeling, Numero 57/4, 2017, Pagina/e 897-909, ISSN 1549-9596
Editore:
American Chemical Society
DOI:
10.1021/acs.jcim.6b00780
Autori:
Agastya P. Bhati, Shunzhou Wan, David W. Wright, Peter V. Coveney
Pubblicato in:
Journal of Chemical Theory and Computation, Numero 13/1, 2016, Pagina/e 210-222, ISSN 1549-9618
Editore:
American Chemical Society
DOI:
10.1021/acs.jctc.6b00979
Autori:
Dakka, Jumana; Farkas-Pall, Kristof; Turilli, Matteo; Wright, David W; Coveney, Peter V; Jha, Shantenu
Pubblicato in:
arXiv, Numero 1, 2018
Editore:
arXiv
Autori:
Derek Groen, Simon Portegies Zwart
Pubblicato in:
2015 IEEE 11th International Conference on e-Science, 2015, Pagina/e 565-571, ISBN 978-1-4673-9325-6
Editore:
IEEE
DOI:
10.1109/eScience.2015.81
Autori:
O. Luk, O. Hoenen, A. Bottino, B. Scott, D. Coster
Pubblicato in:
EPS Proceedings, Numero P1, 2018, Pagina/e 1102, ISBN 979-10-96389-08-7
Editore:
European Physical Society
Autori:
S. Portegies Zwart and S. McMillan
Pubblicato in:
AAS IOP Astronomy, 2018
Editore:
IOP
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