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PRODID:-//Microsoft Corporation//Outlook MIMEDIR//EN
VERSION:2.0
BEGIN:VEVENT
DTSTART:20141119T220000Z
DTEND:20141119T223000Z
LOCATION:388-89-90
DESCRIPTION;ENCODING=QUOTED-PRINTABLE:ABSTRACT: This paper presents the implementation and performance of the highly accurate CCSD(T) quantum chemistry method on the Intel Xeon Phi coprocessor within the context of the NWChem computational chemistry package.=0AThe widespread use of highly correlated methods in electronic structure calculations is contingent upon the interplay between advances in theory and the possibility of utilizing the ever-growing computer power of emerging heterogeneous architectures. =0AWe discuss the design decisions of our implementation as well as the optimizations applied to the compute kernels and data transfers between host and coprocessor.=0AWe show the feasibility of adopting the Intel Many Integrated Core Architecture and the Intel Xeon Phi coprocessor for developing efficient computational chemistry modeling tools.=0ARemarkable scalability is demonstrated by benchmarks.  Our solution scales up to a total of 62560 cores with the concurrent utilization of Intel Xeon processors and Intel Xeon Phi coprocessors.
SUMMARY:Efficient Implementation of Many-Body Quantum Chemical Methods on the Intel Xeon Phi Coprocessor
PRIORITY:3
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