Reference: Journal of Research of the National Institute of Standards and Technology
267, 109 (2), pp. 267-277 (2004)
(PDF Version of Original Paper)
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A parallel quaternion-based dissipative particle dynamics (QDPD) program has been developed in Fortran to study the flow properties of complex fluids subject to shear. The parallelization allows for simulations of greater size and complexity and is accomplished with a parallel linkcell spatial (domain) decomposition using MPI. The technique has novel features arising from the DPD formalism, the use of rigid body inclusions spread across processors, and a sheared boundary condition. A detailed discussion of our implementation is presented, along with results on two distributed memory architectures. A parallel speedup of 24.19 was obtained for a benchmark calculation on 27 processors of a distributed memory cluster.
Key words: dissipative particle dynamics;domain decomposition; mesoscopic modeling; parallel algorithms; rheology; spatial decomposition; suspensions.