2H 2015

Comparative Performance
LAMMPS*
Rhodopsin Benchmark 256K Atoms
LAMMPS* Rhodopsin Benchmark Performance (Mixed Precision); Includes
External NVIDIA* Results 2/K20X + 1S AMD*
2
1
0
1
1.26X
1 Node 32 Nodes
2S Intel® Xeon® E5-2697 v2 (LAMPPS baseline)
2S Intel® Xeon® E5-2697 v2 (LAMPPS IA Package)
2S E5-2697 v2 + Intel® Xeon Phi Coprocessor 7120A Turbo off (LAMPPS
IA package)
Cray XK7: 1S AMD Opteron* 6274 + NVIDIA Tesla* K20X; Cray Gemini*
Interconnect, PCIe2.0* (LAMMPS GPU Package)
http://www.nvidia.com/docs/IO/122634/computational-chemistry-benchmarks.pdf)
For configuration details, go here.
1.71X
.94X 1
1.56X
2.15X
1.46X
SOURCE: INTEL MEASURED RESULTS AS OF MAY, 2014
CLUSTER BENCHMARK
Application: LAMMPS*
32 NODES
Description: Simulation of molecular systems with classical
models. Wide variety of academic, government, and industry users.
Popular due to its versatility and support for a wide range of forcefields/potential
models: Materials Science, Chemistry, Biophysics,
Solid Mechanics, Granular Flow, etc. More at
http://lammps.sandia.gov/
Availability:
• Code: In main LAMMPS repository.
• Recipe: Available here.
APPROVED FOR PUBLIC PRESENTATION
Usage Model: Load balancer offloads part of neighbor-list and
non-bond force calculations to Xeon Phi for concurrent
calculations with CPU.
Highlights: Dynamic load balancing allows for concurrent:
• Data transfer between host and coprocessor.
• Calculations of neighbor-list, non-bond, bond, and long-range
terms.
Same routines in LAMMPS Intel Package also run faster on CPU.
Results: Up to 1.71X performance improvement utilizing Intel®
Xeon® processors and Intel® Xeon Phi coprocessors with
application optimization on a single node compared to the
baseline configuration. Performance increases up to 2.15X when
scaling up to 32 nodes, out-performing the alternative
configuration.
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,
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
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
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