Resultado final
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.
Publicaciones
Autores:
Dakka, Jumana; Turilli, Matteo; Wright, David W; Zasada, Stefan J; Balasubramanian, Vivek; Wan, Shunzhou; Coveney, Peter V; Jha, Shantenu
Publicado en:
BioMed Central, Edición 1, 2018
Editor:
Springer Nature
Autores:
A. G. Hoekstra, B. Chopard, D. Coster, S. Portegies Zwar, P. V. Coveney
Publicado en:
2018
Editor:
The Royal Society Publishing
DOI:
10.1098/rsta.2018.0144
Autores:
M. Vassaux, R. Richardson, P. V. Coveney
Publicado en:
2018
Editor:
The Royal Society Publishing
DOI:
10.1098/rsta.2018.0150
Autores:
O. O. Luk, O. Hoenen, O. Perks, K. Brabazon, T. Piontek, P. Kopta, B. Bosak, A. Bottino, B. D. Scott, D. P. Coster
Publicado en:
2018
Editor:
The Royal Society
DOI:
10.1098/rsta.2018.0152
Autores:
O. Luk, O. Hoenen, A. Bottino, B. Scott, D. Coster
Publicado en:
Computer Physics Communications, 2018
Editor:
Elsevier
Autores:
S. Alowayyed, V. Azizi, G. Zavodszky and A. G. Hoekstra
Publicado en:
Computer Physics Communications, 2018
Editor:
Elsevier
Autores:
V. Jancauskas, T. Piontek, P. Kopta, B. Bosak
Publicado en:
Philosophical Transactions of the Royal Society, 2018
Editor:
The Royal Society
Autores:
D. Groen
Publicado en:
ICCS 2018, Springer Lecture Notes in Computer Science (LNCS), 2018
Editor:
Springer
Autores:
N. T. Chan, D. Suleimenova, D. Bell, D. Groen
Publicado en:
Proceedings of the Operational Research Society Simulation Workshop 2018, 2018
Editor:
The Operational Research Society
Autores:
Sauro Succi, Peter V. Coveney
Publicado en:
Phil Trans R Soc (Series A), 2018
Editor:
The Royal Society
DOI:
10.1098/rsta.2018.0145
Autores:
S. J. Zasada and P. V. Coveney
Publicado en:
CoRR, 2015
Editor:
Cornell University Library
Autores:
D. Groen, J. Knap, P. Neumann, D. Suleimenova, L. Veen, K. Leiter
Publicado en:
Philosophical Transactions A: Mathematical, Physical and Engineering Sciences, 2018
Editor:
The Royal Society
DOI:
10.1098/rsta.2018.0147
Autores:
Penny Xuran Qian, Maxwell Xu Cai, Simon Portegies Zwart, Ming Zhu
Publicado en:
Publications of the Astronomical Society of the Pacific, Edición 129/979, 2017, Página(s) 094503, ISSN 0004-6280
Editor:
University of Chicago Press
DOI:
10.1088/1538-3873/aa7c49
Autores:
Agastya P. Bhati, Shunzhou Wan, Yuan Hu, Brad Sherborne, Peter V. Coveney
Publicado en:
Journal of Chemical Theory and Computation, Edición 14/6, 2018, Página(s) 2867-2880, ISSN 1549-9618
Editor:
American Chemical Society
DOI:
10.1021/acs.jctc.7b01143
Autores:
R. Charlotte Eccleston, Shunzhou Wan, Neil Dalchau, Peter V. Coveney
Publicado en:
Frontiers in Immunology, Edición 8, 2017, ISSN 1664-3224
Editor:
Frontiers
DOI:
10.3389/fimmu.2017.00797
Autores:
Gábor Závodszky, Britt van Rooij, Victor Azizi, Alfons Hoekstra
Publicado en:
Frontiers in Physiology, Edición 8, 2017, Página(s) 563, ISSN 1664-042X
Editor:
Frontiers Research Foundation
DOI:
10.3389/fphys.2017.00563
Autores:
Derek Groen, Robin A. Richardson, Rachel Coy, Ulf D. Schiller, Hoskote Chandrashekar, Fergus Robertson, Peter V. Coveney
Publicado en:
Frontiers in Physiology, Edición 9, 2018, ISSN 1664-042X
Editor:
Frontiers Research Foundation
DOI:
10.3389/fphys.2018.00721
Autores:
S. Alowayyed, G. Závodszky, V. Azizi, A.G. Hoekstra
Publicado en:
Journal of Computational Science, Edición 24, 2018, Página(s) 1-7, ISSN 1877-7503
Editor:
Elsevier BV
DOI:
10.1016/j.jocs.2017.11.008
Autores:
Adrian S Hamers, Maxwell X Cai, Javier Roa, Nathan Leigh
Publicado en:
Monthly Notices of the Royal Astronomical Society, Edición 480/3, 2018, Página(s) 3800-3811, ISSN 0035-8711
Editor:
Blackwell Publishing Inc.
DOI:
10.1093/mnras/sty2117
Autores:
Saad Alowayyed, Derek Groen, Peter V. Coveney, Alfons G. Hoekstra
Publicado en:
Journal of Computational Science, Edición 22, 2017, Página(s) 15-25, ISSN 1877-7503
Editor:
Elsevier BV
DOI:
10.1016/j.jocs.2017.07.004
Autores:
Robert C. Sinclair, James L. Suter, Peter V. Coveney
Publicado en:
Advanced Materials, Edición 30/13, 2018, Página(s) 1705791, ISSN 0935-9648
Editor:
United Nations Industrial Developement Organization
DOI:
10.1002/adma.201705791
Autores:
Inti Pelupessy, Ben van Werkhoven, Arjen van Elteren, Jan Viebahn, Adam Candy, Simon Portegies Zwart, Henk Dijkstra
Publicado en:
Geoscientific Model Development, Edición 10/8, 2017, Página(s) 3167-3187, ISSN 1991-9603
Editor:
Copernicus Publications
DOI:
10.5194/gmd-10-3167-2017
Autores:
Simon F. Portegies Zwart, Tjarda C.N. Boekholt
Publicado en:
Communications in Nonlinear Science and Numerical Simulation, Edición 61, 2018, Página(s) 160-166, ISSN 1007-5704
Editor:
Elsevier BV
DOI:
10.1016/j.cnsns.2018.02.002
Autores:
James L. Suter, Peter V. Coveney
Publicado en:
ACS Omega, Edición 3/6, 2018, Página(s) 6439-6445, ISSN 2470-1343
Editor:
ACS
DOI:
10.1021/acsomega.8b00542
Autores:
Pavel S. Zun, Tatiana Anikina, Andrew Svitenkov, Alfons G. Hoekstra
Publicado en:
Frontiers in Physiology, Edición 8, 2017, ISSN 1664-042X
Editor:
Frontiers Research Foundation
DOI:
10.3389/fphys.2017.00284
Autores:
Maxwell Xu Cai, Simon Portegies Zwart, Arjen van Elteren
Publicado en:
Monthly Notices of the Royal Astronomical Society, Edición 474/4, 2017, Página(s) 5114-5121, ISSN 0035-8711
Editor:
Blackwell Publishing Inc.
DOI:
10.1093/mnras/stx3064
Autores:
M S Fujii, J Bédorf, J Baba, S Portegies Zwart
Publicado en:
Monthly Notices of the Royal Astronomical Society, Edición 477/2, 2018, Página(s) 1451-1471, ISSN 0035-8711
Editor:
Blackwell Publishing Inc.
DOI:
10.1093/mnras/sty711
Autores:
Miguel O. Bernabeu, Martin L. Jones, Rupert W. Nash, Anna Pezzarossa, Peter V. Coveney, Holger Gerhardt, Claudio A. Franco
Publicado en:
Biophysical Journal, Edición 114/9, 2018, Página(s) 2052-2058, ISSN 0006-3495
Editor:
Biophysical Society
DOI:
10.1016/j.bpj.2018.03.032
Autores:
Inti Pelupessy, Ben van Werkhoven, Arjen van Elteren, Jan Viebahn, Adam Candy, Simon Portegies Zwart, Henk Dijkstra
Publicado en:
Geoscientific Model Development Discussions, 2016, Página(s) 1-36, ISSN 1991-962X
Editor:
EGU
DOI:
10.5194/gmd-2016-178
Autores:
Maxwell Xu Cai (蔡栩), M. B. N. Kouwenhoven, Simon F. Portegies Zwart, Rainer Spurzem
Publicado en:
Monthly Notices of the Royal Astronomical Society, Edición 470/4, 2017, Página(s) 4337-4353, ISSN 0035-8711
Editor:
Blackwell Publishing Inc.
DOI:
10.1093/mnras/stx1464
Autores:
Alex Rimoldi, Simon Portegies Zwart, Elena Maria Rossi
Publicado en:
Computational Astrophysics and Cosmology, Edición 3/1, 2016, ISSN 2197-7909
Editor:
Springer
DOI:
10.1186/s40668-016-0015-4
Autores:
Gábor Zavodszky, Britt van Rooij, Victor Azizi, Saad Alowayyed, Alfons Hoekstra
Publicado en:
Procedia Computer Science, Edición 108, 2017, Página(s) 159-165, ISSN 1877-0509
Editor:
Elsevier
DOI:
10.1016/j.procs.2017.05.084
Autores:
Silvia Toonen, Adrian Hamers, Simon Portegies Zwart
Publicado en:
Computational Astrophysics and Cosmology, Edición 3/1, 2016, ISSN 2197-7909
Editor:
Springer
DOI:
10.1186/s40668-016-0019-0
Autores:
Peter V. Coveney, Shunzhou Wan
Publicado en:
Physical Chemistry Chemical Physics, Edición 18/44, 2016, Página(s) 30236-30240, ISSN 1463-9076
Editor:
Royal Society of Chemistry
DOI:
10.1039/c6cp02349e
Autores:
Anna Nikishova, Lourens Veen, Pavel Zun, Alfons G. Hoekstra
Publicado en:
Cardiovascular Engineering and Technology, 2018, ISSN 1869-408X
Editor:
Springer Pub. Co.,
DOI:
10.1007/s13239-018-00372-4
Autores:
Simon Portegies Zwart, Santiago Torres, Inti Pelupessy, Jeroen Bédorf, Maxwell X Cai
Publicado en:
Monthly Notices of the Royal Astronomical Society: Letters, Edición 479/1, 2018, Página(s) L17-L22, ISSN 1745-3933
Editor:
Blackwell Publishing
DOI:
10.1093/mnrasl/sly088
Autores:
Bastien Chopard, Jean-Luc Falcone, Pierre Kunzli, Lourens Veen, Alfons Hoekstra
Publicado en:
Multiscale and Multidisciplinary Modeling, Experiments and Design, Edición 1/1, 2018, Página(s) 57-68, ISSN 2520-8160
Editor:
Springer
DOI:
10.1007/s41939-017-0006-4
Autores:
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
Publicado en:
Future Generation Computer Systems, Edición 91, 2019, Página(s) 335-346, ISSN 0167-739X
Editor:
Elsevier BV
DOI:
10.1016/j.future.2018.08.045
Autores:
Alfons G. Hoekstra, Saad Alowayyed, Eric Lorenz, Natalia Melnikova, Lampros Mountrakis, Britt van Rooij, Andrew Svitenkov, Gábor Závodszky, Pavel Zun
Publicado en:
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Edición 374/2080, 2016, Página(s) 20160146, ISSN 1364-503X
Editor:
Royal Society of London
DOI:
10.1098/rsta.2016.0146
Autores:
Shunzhou Wan, Agastya P. Bhati, Stefan J. Zasada, Ian Wall, Darren Green, Paul Bamborough, Peter V. Coveney
Publicado en:
Journal of Chemical Theory and Computation, Edición 13/2, 2017, Página(s) 784-795, ISSN 1549-9618
Editor:
American Chemical Society
DOI:
10.1021/acs.jctc.6b00794
Autores:
Derek Groen, Agastya P. Bhati, James Suter, James Hetherington, Stefan J. Zasada, Peter V. Coveney
Publicado en:
Computer Physics Communications, Edición 207, 2016, Página(s) 375-385, ISSN 0010-4655
Editor:
Elsevier BV
DOI:
10.1016/j.cpc.2016.05.020
Autores:
James L. Suter, Derek Groen, Peter V. Coveney
Publicado en:
Nano Letters, Edición 15/12, 2015, Página(s) 8108-8113, ISSN 1530-6984
Editor:
American Chemical Society
DOI:
10.1021/acs.nanolett.5b03547
Autores:
S. Schmieschek, L. Shamardin, S. Frijters, T. Krüger, U.D. Schiller, J. Harting, P.V. Coveney
Publicado en:
Computer Physics Communications, 2017, ISSN 0010-4655
Editor:
Elsevier BV
DOI:
10.1016/j.cpc.2017.03.013
Autores:
Shunzhou Wan, Agastya P. Bhati, Sarah Skerratt, Kiyoyuki Omoto, Veerabahu Shanmugasundaram, Sharan K. Bagal, Peter V. Coveney
Publicado en:
Journal of Chemical Information and Modeling, Edición 57/4, 2017, Página(s) 897-909, ISSN 1549-9596
Editor:
American Chemical Society
DOI:
10.1021/acs.jcim.6b00780
Autores:
Agastya P. Bhati, Shunzhou Wan, David W. Wright, Peter V. Coveney
Publicado en:
Journal of Chemical Theory and Computation, Edición 13/1, 2016, Página(s) 210-222, ISSN 1549-9618
Editor:
American Chemical Society
DOI:
10.1021/acs.jctc.6b00979
Autores:
Dakka, Jumana; Farkas-Pall, Kristof; Turilli, Matteo; Wright, David W; Coveney, Peter V; Jha, Shantenu
Publicado en:
arXiv, Edición 1, 2018
Editor:
arXiv
Autores:
Derek Groen, Simon Portegies Zwart
Publicado en:
2015 IEEE 11th International Conference on e-Science, 2015, Página(s) 565-571, ISBN 978-1-4673-9325-6
Editor:
IEEE
DOI:
10.1109/eScience.2015.81
Autores:
O. Luk, O. Hoenen, A. Bottino, B. Scott, D. Coster
Publicado en:
EPS Proceedings, Edición P1, 2018, Página(s) 1102, ISBN 979-10-96389-08-7
Editor:
European Physical Society
Autores:
S. Portegies Zwart and S. McMillan
Publicado en:
AAS IOP Astronomy, 2018
Editor:
IOP
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