Risultati finali
Final version of D6.2.
Lessons Learnt from the LIGATE ProjectLessons learnt from the LIGATE Project.
Initial Dissemination and Communication PlanTo define the strategy to disseminate and communicate the project results. The activity, led by CHELONIA in tight collaboration with DOMPE, will analyze the strategies and will implement the actions to optimize the dissemination and communication of the project results, beyond the project partners and time-frame.
Validated Platform on Known DatasetThis task is devoted to functionally validate the outcome of the CADD platform enhancement. This task includes the preparation of a dataset composed by known compounds derived from literature and publicly available databases. This dataset will be used as a test-case for the platform for the continuous validation and performance assessment of the platform. The task defines the baseline for the CADD platform validation process and assesses the improvement reached in terms of the selected metrics. A specific action will be carried out to: ● Definition of benchmark datasets for validation of ligand poses and binding affinity calculations; quality control of structures datasets (DOMPE, UNIBAS); ● Evaluation of the baseline of the CADD platform; ● Evaluation and definition of the novel baseline of the intermediate and final tool version (Alpha, Beta, Candidate, Release).
Solution Validation ResultFinal validation of the different solution components and of the solution as a whole.
Initial Validation ResultInitial validation of the different solution components and of the solution as a whole
The final runtime and autotuning report describes the state of the programming model and runtime system after the completion of the autotuning, heterogeneity and energy optimization tasks. It will summarize the framework features, the advancements made in the optimization tasks, and evaluate its performance.
Setup and Maintenance of LIGATE Website & Social MediaCoordination of dissemination (LIGATE webpage, workshops, conferences, articles, and book) and communication (use of social networks such as LinkedIN, Facebook, Twitter and YouTube) activities.
Intermediate runtime and autotuning frameworkThis intermediate report describes the progress made on runtime system optimization, including autotuning, scheduling and data distribution improvements, as well as energy optimization.
Pubblicazioni
Autori:
Kaijie Fan, Marco D'Antonio, Lorenzo Carpentieri, Biagio Cosenza, Federico Ficarelli, and Daniele Cesarini
Pubblicato in:
Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (SC '23), Numero 69, 2023, Pagina/e 1–13
Editore:
Association for Computing Machinery
DOI:
10.1145/3581784.3607055
Autori:
Gianluca Palermo, Gianmarco Accordi, Davide Gadioli, Emanuele Vitali, Cristina Silvano, Bruno Guindani, Danilo Ardagna, Andrea R. Beccari, Domenico Bonanni, Carmine Talarico, Filippo Lunghini, Jan Martinovic, Paulo Silva, Ada Bohm, Jakub Beranek, Jan Krenek, Branislav Jansik, Luigi Crisci, Biagio, Cosenza, Peter Thoman, Philip Salzmann, Thomas Fahringer, Leila Alexander, Gerardo Tauriello, Torsten
Pubblicato in:
Proceedings of the 20th ACM International Conference on Computing Frontiers (CF '23), 2023, Pagina/e 272–278
Editore:
Association for Computing Machinery
DOI:
10.1145/3587135.3592172
Autori:
Thoman, Peter and Molina Heredia, Facundo and Fahringer, Thomas
Pubblicato in:
IWOCL 22: International Workshop on OpenCL, 2022
Editore:
ACM
DOI:
10.1145/3529538.3529548
Autori:
Jakub Konvička, Václav Svatoň, Jan Křenek
Pubblicato in:
Proceedings of Euro-Par 2023: Parallel Processing Workshops. Lecture Notes in Computer Science, Numero 14352, 2024, Pagina/e 252–255, ISBN 978-3-031-48802-3
Editore:
Springer
DOI:
10.1007/978-3-031-48803-0_27
Autori:
Luigi Crisci, Lorenzo Carpentieri, Peter Thoman, Aksel Alpay, Vincent Heuveline, Biagio Cosenza
Pubblicato in:
Proceedings of the 12th International Workshop on OpenCL and SYCL (IWOCL '24), Numero 1, 2024, Pagina/e 1–12
Editore:
Association for Computing Machinery
DOI:
10.1145/3648115.3648120
Autori:
Bruno Guindani, Danilo Ardagna, Alessandra Guglielmi
Pubblicato in:
Proceedings of IEEE 7th International Conference on Smart Cloud (SmartCloud), 2022, Pagina/e 1-9, ISBN 978-1-6654-5180-2
Editore:
IEEE
DOI:
10.1109/smartcloud55982.2022.00008
Autori:
Majid Salimi Beni, Biagio Cosenza
Pubblicato in:
Proceedings of Benchmarking, Measuring, and Optimizing: 14th BenchCouncil International Symposium, Bench 2022, 2023, Pagina/e 123–142
Editore:
Springer-Verlag
DOI:
10.1007/978-3-031-31180-2_8
Autori:
Kaijie Fan, Biagio Cosenza, Ben H. H. Juurlink
Pubblicato in:
ACM International Conference on Computing Frontiers, 2022
Editore:
ACM
DOI:
10.1145/3528416.3530241
Autori:
Luigi Crisci, Majid Salimi Beni, Biagio Cosenza, Nicolò Scipione, Davide Gadioli, Emanuele Vitali,Gianluca Palermo, Andrea Rosario Beccari
Pubblicato in:
IWOCL 22: International Workshop on OpenCL, 2021
Editore:
ACM
DOI:
10.1145/3529538.3529688
Autori:
Peter Thoman, Fabian Knorr, Luigi Crisci
Pubblicato in:
Proceedings of the 12th International Workshop on OpenCL and SYCL (IWOCL '24), Numero 3, 2024, Pagina/e 1–12
Editore:
Association for Computing Machinery
DOI:
10.1145/3648115.3648136
Autori:
Lorenzo Carpentieri, Marco D'Antonio, Kaijie Fan, Luigi Crisci, Biagio Cosenza, Federico Ficarelli, Daniele Cesarini, Gianmarco Accordi, Davide Gadioli, Gianluca Palermo, Peter Thoman, Philip Salzmann, Philipp Gschwandtner, Markus Wippler, Filippo Marchetti, Daniele Gregori, Andrea Rosario Beccari
Pubblicato in:
Proceedings of SC-W '23 - International Workshop on the Environmental Sustainability of High-Performance Software, 2023, Pagina/e 1790–1800
Editore:
ACM
DOI:
10.1145/3624062.3624261
Autori:
Philip Salzmann, Fabian Knorr, Peter Thoman, Philipp Gschwandtner, Biagio Cosenza, Thomas Fahringer
Pubblicato in:
Proceedings of 2023 IEEE/ACM 23rd International Symposium on Cluster, Cloud and Internet Computing (CCGrid), 2023, Pagina/e 82-93, ISBN 979-8-3503-0120-5
Editore:
IEEE
DOI:
10.1109/ccgrid57682.2023.00018
Autori:
Fabian Knorr, Peter Thoman, Thomas Fahringer
Pubblicato in:
SC '21: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, 2021
Editore:
ACM
DOI:
10.1145/3458817.3476224
Autori:
Gadioli, Davide and Vitali, Emanuele and Ficarelli, Federico and Latini, Chiara and Manelfi, Candida and Talarico, Carmine and Silvano, Cristina and Beccari, Andrea. R. and Palermo, Gianluca
Pubblicato in:
ACM International Conference on Computing Frontiers, 2022
Editore:
ACM
DOI:
10.1145/3528416.3530872
Autori:
Majid Salimi Beni, Luigi Crisci, Biagio Cosenza
Pubblicato in:
Proceedings of 2023 IEEE/ACM 23rd International Symposium on Cluster, Cloud and Internet Computing (CCGrid), 2023, Pagina/e 141-153
Editore:
IEEE
DOI:
10.1109/ccgrid57682.2023.00023
Autori:
Gianmarco Accordi, Davide Gadioli, Gianluca Palermo, Luigi Crisci, Lorenzo Carpentieri, Biagio Cosenza, Andrea R. Beccari
Pubblicato in:
Proceedings of the 12th International Workshop on OpenCL and SYCL (IWOCL '24), Numero 9, 2024, Pagina/e 1–4
Editore:
Association for Computing Machinery
DOI:
10.1145/3648115.3648125
Autori:
Stefano Markidis, Davide Gadioli, Emanuele Vitali, Gianluca Palermo
Pubblicato in:
PDSW 2021 (SC21 Workshop) 6TH INTERNATIONAL PARALLEL DATA SYSTEMS WORKSHOP (HELD IN CONJUNCTION WITH SC21: THE INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS), 2021
Editore:
IEEE Xplore
DOI:
10.1109/pdsw54622.2021.00007
Autori:
Peter Thoman, Philipp Salzmann
Pubblicato in:
Asynchronous Many-Task Systems and Applications. WAMTA 2023. Lecture Notes in Computer Science, Numero 13861, 2023, Pagina/e 13–26, ISBN 978-3-031-32315-7
Editore:
Springer
DOI:
10.1007/978-3-031-32316-4_2
Autori:
Philip Salzmann, Fabian Knorr, Peter Thoman, Biagio Cosenza
Pubblicato in:
IWOCL 22: International Workshop on OpenCL, 2022
Editore:
ACM
DOI:
10.1145/3529538.3530004
Autori:
Fabian Knorr, Philip Salzmann, Peter Thoman, Thomas Fahringer
Pubblicato in:
International Journal of Parallel Programming, 2024, ISSN 0885-7458
Editore:
Kluwer Academic Publishers
DOI:
10.1007/s10766-024-00767-y
Autori:
Knorr Fabian, Thoman Peter, Fahringer Thomas
Pubblicato in:
International Journal of Parallel Programming, Numero 51, 2023, Pagina/e 150–171, ISSN 0885-7458
Editore:
Kluwer Academic Publishers
DOI:
10.1007/s10766-022-00743-4
Autori:
Peter Thoman, Philip Salzmann
Pubblicato in:
SN Computer Science, Numero 5, 2024, Pagina/e 409, ISSN 2661-8907
Editore:
Springer Nature
DOI:
10.1007/s42979-024-02749-w
Autori:
Natarajan Arul Murugan, Artur Podobas, Davide Gadioli, Emanuele Vitali, Gianluca Palermo, Stefano Markidis
Pubblicato in:
Pharmaceuticals, Numero 15(1):63, 2022, ISSN 1424-8247
Editore:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/ph15010063
Autori:
Bruno Guindani, Danilo Ardagna, Alessandra Guglielmi, Roberto Rocco, Gianluca Palermo
Pubblicato in:
IEEE Transactions on Cloud Computing, Numero 12(1), 2024, Pagina/e 277-294, ISSN 2168-7161
Editore:
Institute of Electrical and Electronics Engineers Inc.
DOI:
10.1109/tcc.2024.3361070
Autori:
Serena Vittorio, Filippo Lunghini, Pietro Morerio, Davide Gadioli, Sergio Orlandini, Paulo Silva, null Jan Martinovic, Alessandro Pedretti, Domenico Bonanni, Alessio Del Bue, Gianluca Palermo, Giulio Vistoli, Andrea R. Beccari
Pubblicato in:
Computational and Structural Biotechnology Journal, Numero 23, 2024, Pagina/e 2141-2151, ISSN 2001-0370
Editore:
Elsevier
DOI:
10.1016/j.csbj.2024.05.024
Autori:
Jakub Beránek, Ada Böhm, Gianluca Palermo, Jan Martinovič, Branislav Jansík
Pubblicato in:
SoftwareX, Numero 27, 2024, Pagina/e 101814, ISSN 2352-7110
Editore:
Elsevier BV
DOI:
10.1016/j.softx.2024.101814
Autori:
Gianmarco Accordi, Davide Gadioli, Emanele Vitali, Luigi Crisci, Biagio Cosenza, Andrea Beccari, Gianluca Palermo
Pubblicato in:
Journal of Supercomputing, Numero 80, 2024, Pagina/e 11798–11815, ISSN 0920-8542
Editore:
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DOI:
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Autori:
Davide Gadioli, Gianmarco Accordi, Jan Krenek, Martin Golasowski, Ladislav Foltyn, Jan Martinovic, Andrea R. Beccari, Gianluca Palermo
Pubblicato in:
Procedia Computer Science, Numero 240, 2024, Pagina/e 42-51, ISSN 1877-0509
Editore:
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DOI:
10.1016/j.procs.2024.07.007
Autori:
Michèle Leemann, Ander Sagasta, Jerome Eberhardt, Torsten Schwede, Xavier Robin, Janani Durairaj
Pubblicato in:
Proteins, Numero 91(12), 2023, Pagina/e 1912-1924, ISSN 0887-3585
Editore:
Wiley-Liss Inc
DOI:
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Autori:
Luigi Crisci, Lorenzo Carpentieri, Biagio Cosenza, Gianmarco Accordi, Davide Gadioli, Emanuele Vitali, Gianluca Palermo, Andrea Rosario Beccari
Pubblicato in:
Future Generation Computer Systems, Numero 158, 2024, Pagina/e 44-59, ISSN 0167-739X
Editore:
Elsevier BV
DOI:
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Autori:
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Pubblicato in:
Journal of Parallel and Distributed Computing, Numero 186, 2024, ISSN 0743-7315
Editore:
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DOI:
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Autori:
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Pubblicato in:
SC 21, The International Conference for High Performance Computing, Networking, Storage, and Analysis, 2021
Editore:
SC 21, The International Conference for High Performance Computing, Networking, Storage, and Analysis
DOI:
10.5281/zenodo.7298549
Autori:
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Pubblicato in:
Euro-Par 2023: Parallel Processing Workshops, 2024
Editore:
Springer
DOI:
10.5281/zenodo.11080405
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