Event-driven DPD timings, temperature, RDF and migration data

Citation Author(s):
Jonathan
Beaumont
Imperial College London
Submitted by:
Jonathan Beaumont
Last updated:
Wed, 12/09/2020 - 12:14
DOI:
10.21227/n1fh-m125
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Abstract 

This dataset is the recorded data for a Dissipative Particle Dynamics simulator which is designed to run on an event-driven high performance computing platform, POETS (poets-project.org). 

This is in support of an article submitted to IEEE Transactions on Parallel and Distributed Systems, entitled "An event-driven approach to Dissipative Particle Dynamics".

Instructions: 

"dpd-performance-results.xls" contains the wallclock timing results of POETS DPD simulator when run on 1, 2, 4 and 8 POETS machines, as well as result for the same simulations when run with a serial DPD simulator, an MPI based DPD simulator (with varying numbers of procesors) and a few results for a GPGPU based DPD simulator.

"Migration averages.xls" contains data which makes up the average number of beads per timestep which are migrated from one cell to another on a POETS event-driven DPD simulator and an MPI based DPD simulator running on 64 cores.

The remaining files contain RDF data for a simulation of a system of volume 25x25x25, and 3 beads per unit volume. The makeup of these beads is 60% water, 30% Oil type 1 and 10% Oil type 2. The values are of RDF over time, indicating how likely it is that a bead of type A (given by the first type in the filename) to a bead of type B (the second type in the filename). This gives an indication of, over time, how the beads interact and separate, as oil and water is expected to do, and form structures.