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Comparative Performance NWChem* CCSD(T) Method 1 NODE APPROVED FOR PUBLIC PRESENTATION NWChem* 6.3rev2 CCSD(T) Method Single Node Speed Up 1 0 1 2S Intel® Xeon® processor E5-2697 v2 1.35X 2S Intel® Xeon® processor E5-2697 v2 + 2 Intel® Xeon Phi Coprocessor 7120A Application: NWChem* is a computational chemistry software package that includes quantum chemical and molecular dynamics functionality. It is designed for high-performance parallel supercomputers and aims to be scalable both in its ability to treat large problems efficiently, and in its usage of available parallel computing resources. NWChem is developed the Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL). More at http://www.nwchem-sw.org Availability: • Code: Available here and from the SVN repository. • Recipe: Available here. Usage Model: Offload using LEO and OpenMP*. Highlights: NWChem with Intel® Xeon Phi coprocessor 7120A offloading is a compelling and cluster compelling application for the NWChem community . Results: NWChem* 6.3rev2 CCSD(T) performed up to 1.35X faster with the Intel® Xeon® processor E5-2697 v2 and the Intel Xeon Phi coprocessor 7120A compared to the Intel Xeon processor E5-2697 v2 baseline. For configuration details, go here. SOURCE: INTEL MEASURED RESULTS AS OF JULY, 2014 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 40
Discover and design like never before. material Sciences 41
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Page 3 and 4: Intel® Modern Code Developer Chall
Page 5 and 6: New or Updated Proof Points NEW pro
Page 7 and 8: Intel® Xeon Phi Coprocessors Softw
Page 9 and 10: Intel® Xeon® Processor E5-2697 v2
Page 11 and 12: Memory Capacity (GB) Memory Compari
Page 13 and 14: A Growing Ecosystem: The Intel® Xe
Page 15 and 16: Comparative Performance LAMMPS* Sti
Page 17 and 18: Comparative Performance Johns Hopki
Page 19 and 20: Comparative Performance 1 0 BLAST*
Page 21 and 22: Comparative Performance NAMD* 2.10
Page 23 and 24: Comparative Performance LAMMPS* Liq
Page 25 and 26: Comparative Performance LAMMPS* Rho
Page 27 and 28: Comparative Performance LAMMPS* Liq
Page 29 and 30: Comparative Performance LAMMPS* Rho
Page 31 and 32: Comparative Performance LAMMPS* Pro
Page 33 and 34: Comparative Performance AMBER* 14 P
Page 35 and 36: Comparative Performance AMBER* 14 P
Page 37 and 38: Comparative Performance Burrows-Whe
Page 39: Comparative Performance NWChem* CCS
Page 43 and 44: Comparative Performance miniGhost*
Page 45 and 46: Comparative Performance Quantum ESP
Page 47 and 48: Comparative Performance ANSYS Mecha
Page 53 and 54: Comparative Performance Sandia Mant
Page 55 and 56: Comparative Increase Autodesk Maya*
Page 57 and 58: Comparative Performance OpenLB* Cyl
Page 59 and 60: CLUSTER BENCHMARKS New Data Center
Page 61 and 62: Comparative Performance Monte Carlo
Page 63 and 64: Comparative Performance QuantLib* S
Page 71 and 72: Comparative Performance Xcelerit* L
Page 73 and 74: Comparative Increase 1 0 Iso3DFD* 1
Page 75 and 76: Comparative Performance Petrobras*
Page 77 and 78: CLUSTER BENCHMARK Data Center Serve
Page 79 and 80: Comparative Performance BerkeleyGW*
Page 81 and 82: Comparative Performance ASKAP* tHog
Page 83 and 84: Comparative Increase specfem3D 300K
Page 85 and 86: CLUSTER BENCHMARK 6,400 NODES APPRO
Page 87 and 88: Comparative Performance Gyrokinetic
Page 89 and 90: Comparative Increase ROMS* Idealize
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Comparative Performance NASA* OVERF
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Improving speed and quality through
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Comparative Performance Embree 2.2
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Intel® Software Development Tools
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Features and Configurations Intel®
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Speedup Turn Big Data Into Informat
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Scalable Profiling for MPI and Hybr
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Bright Cluster Manager* Advanced Cl
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Intel® Xeon Phi Coprocessor Develo
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Intel® Developer Zone Join us on S
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Recommended Links Getting Started:
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Hardware Configuration - Intel® Xe
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OPTIMIZATION NOTICE Optimization No
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