SC12 Home > SC12 Schedule > SC12 Presentation - Optimizing Fine-Grained Communication in a Biomolecular Simulation Application on Cray XK6

SCHEDULE: NOV 10-16, 2012

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Optimizing Fine-Grained Communication in a Biomolecular Simulation Application on Cray XK6

SESSION: Optimizing Application Performance

EVENT TYPE: Papers

TIME: 2:00PM - 2:30PM

SESSION CHAIR: Martin Schulz

AUTHOR(S):Yanhua Sun, Gengbin Zheng, Chao Mei, Eric J. Bohm, Laxmikant V. Kale, James C. Phillips, Terry R. Jones

ROOM:355-EF

ABSTRACT:
Achieving good scaling for fine-grained communication intensive applications on modern supercomputers remains challenging. In our previous work, we have shown that such an application --- NAMD --- scales well on the full Jaguar XT5 without long-range interactions; Yet, with them, the speedup falters beyond 64K cores. Although the new Gemini interconnect on Cray XK6 has improved network performance, the challenges remain, and are likely to remain for other such networks as well. We analyze communication bottlenecks in NAMD and its CHARM++ runtime, using the Projections performance analysis tool. Based on the analysis, we optimize the runtime, built on the uGNI library for Gemini. We present several techniques to improve the fine-grained communication. Consequently, the performance of running 92224-atom Apoa1 on GPUs is improved by 36%. For 100-million-atom STMV, we improve upon the prior Jaguar XT5 result of 26 ms/step to 13 ms/step using 298,992 cores on Titan XK6.

Chair/Author Details:

Martin Schulz (Chair) - Lawrence Livermore National Laboratory

Yanhua Sun - University of Illinois at Urbana-Champaign

Gengbin Zheng - University of Illinois at Urbana-Champaign

Chao Mei - University of Illinois at Urbana-Champaign

Eric J. Bohm - University of Illinois at Urbana-Champaign

Laxmikant V. Kale - University of Illinois at Urbana-Champaign

James C. Phillips - University of Illinois at Urbana-Champaign

Terry R. Jones - Oak Ridge National Laboratory

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Optimizing Fine-Grained Communication in a Biomolecular Simulation Application on Cray XK6

SESSION: Optimizing Application Performance

EVENT TYPE:

TIME: 2:00PM - 2:30PM

SESSION CHAIR: Martin Schulz

AUTHOR(S):Yanhua Sun, Gengbin Zheng, Chao Mei, Eric J. Bohm, Laxmikant V. Kale, James C. Phillips, Terry R. Jones

ROOM:355-EF

ABSTRACT:
Achieving good scaling for fine-grained communication intensive applications on modern supercomputers remains challenging. In our previous work, we have shown that such an application --- NAMD --- scales well on the full Jaguar XT5 without long-range interactions; Yet, with them, the speedup falters beyond 64K cores. Although the new Gemini interconnect on Cray XK6 has improved network performance, the challenges remain, and are likely to remain for other such networks as well. We analyze communication bottlenecks in NAMD and its CHARM++ runtime, using the Projections performance analysis tool. Based on the analysis, we optimize the runtime, built on the uGNI library for Gemini. We present several techniques to improve the fine-grained communication. Consequently, the performance of running 92224-atom Apoa1 on GPUs is improved by 36%. For 100-million-atom STMV, we improve upon the prior Jaguar XT5 result of 26 ms/step to 13 ms/step using 298,992 cores on Titan XK6.

Chair/Author Details:

Martin Schulz (Chair) - Lawrence Livermore National Laboratory

Yanhua Sun - University of Illinois at Urbana-Champaign

Gengbin Zheng - University of Illinois at Urbana-Champaign

Chao Mei - University of Illinois at Urbana-Champaign

Eric J. Bohm - University of Illinois at Urbana-Champaign

Laxmikant V. Kale - University of Illinois at Urbana-Champaign

James C. Phillips - University of Illinois at Urbana-Champaign

Terry R. Jones - Oak Ridge National Laboratory

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