SC12 Home > SC12 Schedule > SC12 Presentation - Heuristic Static Load-Balancing Algorithm Applied to the Fragment Molecular Orbital Method

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

ROOM:355-EF

ABSTRACT:
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.

Chair/Author Details:

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

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Heuristic Static Load-Balancing Algorithm Applied to the Fragment Molecular Orbital Method

SESSION: Optimizing Application Performance

EVENT TYPE:

TIME: 2:30PM - 3:00PM

SESSION CHAIR: Martin Schulz

AUTHOR(S):Yuri Alexeev, Ashutosh Mahajan, Sven Leyffer, Graham Fletcher, Dmitri Fedorov

ROOM:355-EF

ABSTRACT:
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.

Chair/Author Details:

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

Add to iCal  Click here to download .ics calendar file

Add to Outlook  Click here to download .vcs calendar file

Add to Google Calendarss  Click here to add event to your Google Calendar