Polymer field-theory simulations on graphics processing units

We report the first CUDA™ graphics-processing-unit (GPU) implementation of the polymer field-theoretic simulation framework for determining fully fluctuating expectation values of equilibrium properties for periodic and select aperiodic polymer systems. Our implementation is suitable both for self-consistent field theory (mean-field) solutions of the field equations, and for fully fluctuating simulations using the complex Langevin approach. Running on NVIDIA®  Tesla T20 series GPUs, we find double-precision speedups of up to 30×30× compared to single-core serial calculations on a recent reference CPU, while single-precision calculations proceed up to 60×60× faster than those on the single CPU core. Due to intensive communications overhead, an MPI implementation running on 64 CPU cores remains two times slower than a single GPU.