Implementation of High-Precision Computation Capabilities Into the Open-Source Dynamic Simulation Framework YADE
Implementation of high-precision computation capabilities into the open-source dynamic simulation framework YADE Janek Kozickia,b, Anton Gladkyc, Klaus Thoenid aFaculty of Applied Physics and Mathematics, Gda´nskUniversity of Technology, 80-233 Gda´nsk,Poland bAdvanced Materials Center, Gda´nskUniversity of Technology, 80-233 Gda´nsk,Poland cInstitute for Mineral Processing Machines and Recycling Systems Technology, TU Bergakademie Freiberg, 09599 Freiberg, Germany dCentre for Geotechnical Science and Engineering, The University of Newcastle, 2308 Callaghan, Australia Abstract This paper deals with the implementation of arbitrary precision calculations into the open-source discrete element framework YADE published under the GPL-2+ free software license. This new capability paves the way for the simulation framework to be used in many new fields such as quantum mechanics. The implementation details and associated gains in the accuracy of the results are discussed. Besides the ,,stan- dard" double (64 bits) type, support for the following high-precision types is added: long double (80 bits), float128 (128 bits), mpfr float backend (arbitrary precision) and cpp bin float (arbitrary precision). Benchmarks are performed to quantify the additional computational cost involved with the new supported precisions. Finally, a simple calculation of a chaotic triple pendulum is performed to demonstrate the new capabilities and the effect of different precisions on the simulation result. Keywords: arbitrary accuracy, multiple precision arithmetic, dynamical systems 05.45.-a, computational techniques 45.10.-b, numerical analysis 02.60.Lj, error theory 06.20.Dk 1. Introduction The advent of a new era of scientific computing has been predicted in the literature, one in which the numerical precision required for computation is as important as the algorithms and data structures in the program [6, 50, 51, 64].
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