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Erschienen in: The Journal of Supercomputing 12/2019

24.08.2018

ginSODA: massive parallel integration of stiff ODE systems on GPUs

verfasst von: Marco S. Nobile, Paolo Cazzaniga, Daniela Besozzi, Giancarlo Mauri

Erschienen in: The Journal of Supercomputing | Ausgabe 12/2019

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Abstract

Ordinary differential equations (ODEs) are a widespread formalism for the mathematical modeling of natural and engineering systems, whose analysis is generally performed by means of numerical integration methods. However, real-world models are often characterized by stiffness, a circumstance that can lead to prohibitive execution times. In such cases, the practical viability of many computational tools—e.g., sensitivity analysis—is hampered by the necessity to carry out a large number of simulations. In this work, we present ginSODA, a general-purpose black-box numerical integrator that distributes the calculations on graphics processing units, and allows to run massive numbers of numerical integrations of ODE systems characterized by stiffness. By leveraging symbolic differentiation, meta-programming techniques, and source code hashing, ginSODA automatically builds highly optimized binaries for the CUDA architecture, preventing code re-compilation and allowing to speed up the computation with respect to the sequential execution. ginSODA also provides a simplified Python interface, which allows to define a system of ODEs and the test to be performed in a few lines of code. According to our results, ginSODA provides up to a \(25 \times \) speedup with respect to the sequential execution.

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Literatur
1.
Zurück zum Zitat Bell N, Hoberock J (2011) Thrust: a productivity-oriented library for CUDA. In: GPU Computing Gems Jade Edition, pp 359–371. Elsevier Bell N, Hoberock J (2011) Thrust: a productivity-oriented library for CUDA. In: GPU Computing Gems Jade Edition, pp 359–371. Elsevier
2.
Zurück zum Zitat Butcher JC (2008) Numerical methods for ordinary differential equations. Wiley, ChichesterCrossRef Butcher JC (2008) Numerical methods for ordinary differential equations. Wiley, ChichesterCrossRef
3.
Zurück zum Zitat Cash JR (2000) Modified extended backward differentiation formulae for the numerical solution of stiff initial value problems in ODEs and DAEs. J Comput Appl Math 125(1–2):117–130MathSciNetCrossRef Cash JR (2000) Modified extended backward differentiation formulae for the numerical solution of stiff initial value problems in ODEs and DAEs. J Comput Appl Math 125(1–2):117–130MathSciNetCrossRef
4.
Zurück zum Zitat Cumbo F, Nobile MS, Damiani C, Colombo R, Mauri G, Cazzaniga P (2017) COSYS: a computational infrastructure for systems biology. In: Bracciali A, Caravagna G, Gilbert D, Tagliaferri R (eds) Computational intelligence methods for bioinformatics and biostatistics. Lecture Notes in Bioinformatics, vol 10477. Springer, Berlin, pp 82–92 Cumbo F, Nobile MS, Damiani C, Colombo R, Mauri G, Cazzaniga P (2017) COSYS: a computational infrastructure for systems biology. In: Bracciali A, Caravagna G, Gilbert D, Tagliaferri R (eds) Computational intelligence methods for bioinformatics and biostatistics. Lecture Notes in Bioinformatics, vol 10477. Springer, Berlin, pp 82–92
5.
6.
Zurück zum Zitat Field RJ, Noyes RM (1974) Oscillations in chemical systems. IV. Limit cycle behavior in a model of a real chemical reaction. J Chem Phys 60(5):1877–1884CrossRef Field RJ, Noyes RM (1974) Oscillations in chemical systems. IV. Limit cycle behavior in a model of a real chemical reaction. J Chem Phys 60(5):1877–1884CrossRef
8.
Zurück zum Zitat Joubert W, Archibald R, Berrill M, Brown WM, Eisenbach M, Grout R, Larkin J, Levesque J, Messer B, Norman M (2015) Accelerated application development: the ORNL Titan experience. Comput Electr Eng 46:123–138CrossRef Joubert W, Archibald R, Berrill M, Brown WM, Eisenbach M, Grout R, Larkin J, Levesque J, Messer B, Norman M (2015) Accelerated application development: the ORNL Titan experience. Comput Electr Eng 46:123–138CrossRef
9.
Zurück zum Zitat Kitano H (2001) Foundations of systems biology. The MIT Press, CambridgeCrossRef Kitano H (2001) Foundations of systems biology. The MIT Press, CambridgeCrossRef
10.
11.
Zurück zum Zitat Klöckner A, Pinto N, Lee Y, Catanzaro B, Ivanov P, Fasih A (2012) PyCUDA and PyOpenCL: a scripting-based approach to GPU run-time code generation. Parallel Comput 38(3):157–174CrossRef Klöckner A, Pinto N, Lee Y, Catanzaro B, Ivanov P, Fasih A (2012) PyCUDA and PyOpenCL: a scripting-based approach to GPU run-time code generation. Parallel Comput 38(3):157–174CrossRef
12.
Zurück zum Zitat Nobile MS, Besozzi D, Cazzaniga P, Mauri G (2014) GPU-accelerated simulations of mass-action kinetics models with cupSODA. J Supercomput 69(1):17–24CrossRef Nobile MS, Besozzi D, Cazzaniga P, Mauri G (2014) GPU-accelerated simulations of mass-action kinetics models with cupSODA. J Supercomput 69(1):17–24CrossRef
13.
Zurück zum Zitat Nobile MS, Besozzi D, Cazzaniga P, Mauri G, Pescini D (2013) cupSODA: a CUDA-powered simulator of mass-action kinetics. In: Malyshkin V (ed) Parallel computing technologies. Lecture Notes in Computer Science, vol 7979. Springer, Berlin, pp 344–357 Nobile MS, Besozzi D, Cazzaniga P, Mauri G, Pescini D (2013) cupSODA: a CUDA-powered simulator of mass-action kinetics. In: Malyshkin V (ed) Parallel computing technologies. Lecture Notes in Computer Science, vol 7979. Springer, Berlin, pp 344–357
14.
Zurück zum Zitat Nobile MS, Cazzaniga P, Besozzi D, Pescini D, Mauri G (2014) cuTauLeaping: A GPU-powered tau-leaping stochastic simulator for massive parallel analyses of biological systems. PLoS ONE 9(3):e91963CrossRef Nobile MS, Cazzaniga P, Besozzi D, Pescini D, Mauri G (2014) cuTauLeaping: A GPU-powered tau-leaping stochastic simulator for massive parallel analyses of biological systems. PLoS ONE 9(3):e91963CrossRef
15.
Zurück zum Zitat Petzold L (1983) Automatic selection of methods for solving stiff and nonstiff systems of ordinary differential equations. SIAM J Sci Stat Comput 4:136–148MathSciNetCrossRef Petzold L (1983) Automatic selection of methods for solving stiff and nonstiff systems of ordinary differential equations. SIAM J Sci Stat Comput 4:136–148MathSciNetCrossRef
17.
Zurück zum Zitat Söderlind G, Jay L, Calvo M (2015) Stiffness 1952–2012: sixty years in search of a definition. BIT Numer Math 55(2):531–558MathSciNetCrossRef Söderlind G, Jay L, Calvo M (2015) Stiffness 1952–2012: sixty years in search of a definition. BIT Numer Math 55(2):531–558MathSciNetCrossRef
18.
Zurück zum Zitat Strogatz SH (2018) Nonlinear dynamics and chaos: with applications to physics, biology, chemistry, and engineering. CRC Press, Boca RatonCrossRef Strogatz SH (2018) Nonlinear dynamics and chaos: with applications to physics, biology, chemistry, and engineering. CRC Press, Boca RatonCrossRef
19.
Zurück zum Zitat Tangherloni A, Nobile MS, Besozzi D, Mauri G, Cazzaniga P (2017) LASSIE: simulating large-scale models of biochemical systems on GPUs. BMC Bioinform 18(1):246CrossRef Tangherloni A, Nobile MS, Besozzi D, Mauri G, Cazzaniga P (2017) LASSIE: simulating large-scale models of biochemical systems on GPUs. BMC Bioinform 18(1):246CrossRef
20.
Zurück zum Zitat Zhabotinsky AM (1991) A history of chemical oscillations and waves. Chaos: an interdisciplinary. J Nonlinear Sci 1(4):379–386 Zhabotinsky AM (1991) A history of chemical oscillations and waves. Chaos: an interdisciplinary. J Nonlinear Sci 1(4):379–386
21.
Zurück zum Zitat Zhou Y, Liepe J, Sheng X, Stumpf MPH, Barnes C (2011) GPU accelerated biochemical network simulation. Bioinformatics 27(6):874–876CrossRef Zhou Y, Liepe J, Sheng X, Stumpf MPH, Barnes C (2011) GPU accelerated biochemical network simulation. Bioinformatics 27(6):874–876CrossRef
Metadaten
Titel
ginSODA: massive parallel integration of stiff ODE systems on GPUs
verfasst von
Marco S. Nobile
Paolo Cazzaniga
Daniela Besozzi
Giancarlo Mauri
Publikationsdatum
24.08.2018
Verlag
Springer US
Erschienen in
The Journal of Supercomputing / Ausgabe 12/2019
Print ISSN: 0920-8542
Elektronische ISSN: 1573-0484
DOI
https://doi.org/10.1007/s11227-018-2549-5

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