Implementation of high-precision computation capabilities into the open-source dynamic simulation framework YADE

TL;DR

This paper introduces high-precision computation support into the YADE discrete element framework, enhancing accuracy and enabling new applications like quantum mechanics, with benchmarks and a chaotic pendulum example demonstrating the benefits.

Contribution

The paper implements multiple high-precision types in YADE, expanding its capabilities beyond standard double precision for more accurate and diverse simulations.

Findings

High-precision types increase computational cost but improve accuracy.

Support for arbitrary precision enables new scientific applications.

Benchmark results quantify the performance trade-offs.

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 "standard" 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.