Mesoscopic numerical simulations provide a unique approach for thequantification of the chemical influences on red blood cell functionalities.The transport Dissipative Particles Dynamics (tDPD) method can lead to sucheffective multiscale simulations due to its ability to simultaneously capturemesoscopic advection, diffusion, and reaction. In this paper, we present aGPU-accelerated red blood cell simulation package based on a tDPD adaptation ofour red blood cell model, which can correctly recover the cell membraneviscosity, elasticity, bending stiffness, and cross-membrane chemicaltransport. The package essentially processes all computational workloads inparallel by GPU, and it incorporates multi-stream scheduling and non-blockingMPI communications to improve inter-node scalability. Our code is validated foraccuracy and compared against the CPU counterpart for speed. Strong scaling andweak scaling are also presented to characterizes scalability. We observe aspeedup of 10.1 on one GPU over all 16 cores within a single node, and a weakscaling efficiency of 91% across 256 nodes. The program enablesquick-turnaround and high-throughput numerical simulations for investigatingchemical-driven red blood cell phenomena and disorders.
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