Since first introduced in 2008 with the 1.0 specification, OpenCL has steadily evolved over the decade to increase its support for heterogeneous parallel systems. In this paper, we accelerate stochastic simulation of biochemical reaction networks on modern GPUs (graphics processing units) by means of the OpenCL programming language. In implementing the OpenCL version of the stochastic simulation algorithm, we carefully apply its data-parallel execution model to optimize the performance provided by the underlying hardware parallelism of the modern GPUs. To evaluate our OpenCL implementation of the stochastic simulation algorithm, we perform a comparative analysis in terms of the performance using the CPU-based cluster implementation and the NVidia CUDA implementation. In addition to the initial report on the performance of OpenCL on GPUs, we also discuss applicability and programmability of OpenCL in the context of GPU-based scientific computing.

We present an OpenACC-based parallelization implementation of stochastic algorithms for simulating biochemical reaction networks on modern GPUs (graphics processing units). To investigate the effectiveness of using OpenACC for leveraging the massive hardware parallelism of the GPU architecture, we carefully apply OpenACC's language constructs and mechanisms to implementing a parallel version of stochastic simulation algorithms on the GPU. Using our OpenACC implementation in comparison to both the NVidia CUDA and the CPU-based implementations, we report our initial experiences on OpenACC's performance and programming productivity in the context of GPU-accelerated scientific computing.

We present a GPU (graphics processing unit) accelerated stochastic algorithm implementation for simulating biochemical reaction networks using the latest NVidia architecture. To effectively utilize the massive parallelism offered by the NVidia Pascal hardware, we apply a set of performance tuning methods and guidelines such as exploiting the architecture's memory hierarchy in our algorithm implementation. Based on our experimentation results as well as comparative analysis using CPU-based implementations, we report our initial experiences on the performance of modern GPUs in the context of scientific computing.