SCHEDULE: NOV 10-16, 2012
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Heuristic Static Load-Balancing Algorithm Applied to the Fragment Molecular Orbital Method
SESSION: Optimizing Application Performance
EVENT TYPE: Papers
TIME: 2:30PM - 3:00PM
SESSION CHAIR: Martin Schulz
AUTHOR(S):Yuri Alexeev, Ashutosh Mahajan, Sven Leyffer, Graham Fletcher, Dmitri Fedorov
In the era of petascale supercomputing, the importance of load balancing is crucial. Although dynamic load balancing is widespread, it is increasingly difficult to implement effectively with thousands of processors or more, prompting a second look at static load-balancing techniques even though the optimal allocation of tasks to processors is an NP-hard problem. We propose a heuristic static load-balancing algorithm, employing fitted benchmarking data, as an alternative to dynamic load-balancing. The problem of allocating CPU cores to tasks is formulated as a mixed-integer nonlinear optimization problem, which is solved by using an optimization solver. On 163,840 cores of Blue Gene/P, we achieved a parallel efficiency of 80% for an execution of the fragment molecular orbital method applied to model protein-ligand complexes quantum-mechanically. The obtained allocation is shown to outperform dynamic load balancing by at least a factor of 2, thus motivating the use of this approach on other coarse-grained applications.
Martin Schulz (Chair) - Lawrence Livermore National Laboratory
Yuri Alexeev - Argonne National Laboratory
Ashutosh Mahajan - Argonne National Laboratory
Sven Leyffer - Argonne National Laboratory
Graham Fletcher - Argonne National Laboratory
Dmitri Fedorov - National Institute of Advanced Industrial Science and Technology