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Comparative Performance<br />

LAMMPS*<br />

Liquid Crystal Benchmark<br />

5<br />

4<br />

3<br />

2<br />

1<br />

0<br />

LAMMPS* Liquid Crystal Benchmark Performance<br />

(Mixed Precision)<br />

1<br />

1 Node 32 Nodes<br />

2S Intel® Xeon® processor E5-2697 v2 (LAMMPS Baseline)<br />

2S Intel® Xeon® processor E5-2697 v2 (LAMMPS IA Package)<br />

2S E5-2697 v2 + Intel® Xeon Phi coprocessor 7120A Turbo Off (LAMMPS<br />

IA Package)<br />

For configuration details, go here.<br />

3.43X<br />

5.07X<br />

1<br />

3.06X<br />

4.84X<br />

SOURCE: INTEL MEASURED RESULTS AS OF JULY, 2014<br />

CLUSTER BENCHMARK<br />

Application: LAMMPS*<br />

1-32 NODES<br />

Description: Simulation of molecular systems with classical models.<br />

Wide variety of academic, government, and industry users. Popular<br />

due to its versatility and support for a wide range of forcefields/potential<br />

models: Materials Science, Chemistry, Biophysics,<br />

Solid Mechanics, Granular Flow, etc. More at<br />

http://lammps.sandia.gov/<br />

Availability:<br />

• Code: In main LAMMPS repository.<br />

• Recipe: Available here.<br />

APPROVED FOR PUBLIC PRESENTATION<br />

Usage Model: Load balancer offloads part of neighbor-list and nonbond<br />

force calculations to Intel® Xeon Phi coprocessor for<br />

concurrent calculations with CPU.<br />

Highlights: Improved results with Intel® Xeon® processor E5-2697<br />

v2 and Intel Xeon Phi coprocessor 7120A. Dynamic load balancing<br />

allows for concurrent:<br />

• Data transfer between host and coprocessor.<br />

• Calculations of neighbor-list, non-bond, bond, and long-range<br />

terms.<br />

Same routines in LAMMPS Intel Package also run faster on CPU.<br />

Results: Up to 5.07X performance improvement utilizing Intel®<br />

Xeon® processors and Intel® Xeon Phi coprocessors with<br />

application optimization on a single node compared to the baseline<br />

configuration. Performance at 4.84X when scaling up to 32 nodes.<br />

Software and workloads used in performance tests may have been optimized for performance only on Intel microprocessors. Performance tests, such as SYSmark and MobileMark, are measured using specific computer systems,<br />

components, software, operations and functions. Any change to any of those factors may cause the results to vary. You should consult other information and performance tests to assist you in fully evaluating your contemplated<br />

purchases, including the performance of that product when combined with other products. For more information go to http://www.intel.com/performance *Other names and brands may be claimed as the property of others<br />

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