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Comparative Performance<br />

AMBER* 14<br />

Particle Mesh Ewald (PME) Cellulose NPT<br />

1 NODE<br />

APPROVED FOR PUBLIC PRESENTATION<br />

2<br />

1<br />

0<br />

AMBER* 14 PME: Cellulose NPT<br />

1<br />

Intel® Xeon® processor E5-2697 v2<br />

1.7X<br />

Optimized Intel® Xeon® processor E5-2697 v2<br />

2.2X<br />

Optimized Intel® Xeon® processor E5-2697 v2 + Intel® Xeon Phi<br />

coprocessor 7120A<br />

Application: AMBER* 14<br />

Description: Bimolecular Simulations (Protein, DNA, RNA, virus etc.).<br />

Full double precision (DPDP). More at http://ambermd.org/<br />

Availability:<br />

• Code: Available as a patch.<br />

• Recipe: Available here (Section 18.7 of the manual).<br />

Usage Model:<br />

• Baseline is the host Intel® Xeon® processor E5-2697 v2 compared<br />

to the Intel® Xeon® processor E5-2697 v2 and the Intel® Xeon Phi<br />

coprocessor 7120A using double precision.<br />

• Offload processing on both, using the released code, double<br />

precision across the platforms.<br />

Highlights: The code was optimized, delivered to the AMBER<br />

community (whoever has license) and available as an update patch<br />

during code configuration.<br />

Results: Optimized Intel Xeon processor E5-2697 v2 and Intel Xeon<br />

Phi coprocessor 7120A offload demonstrated up to 2.2X improved<br />

performance over the baseline Intel Xeon processor E5-2697 only<br />

code.<br />

For configuration details, go here.<br />

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

33

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