LRZ: The Suitability of Contemporary Processors for Quantum Chemical Computations

Ludger Palm ()
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Ludger Palm: Leibniz-Rechenzentrum der Bayerischen Akademie der Wissenschaften

A chapter in High Performance Computing in Science and Engineering, Garching 2004, 2005, pp 129-139 from Springer

Abstract: Abstract The suitability of the Intel Pentium 4 Xeon, AMD Opteron, Intel Itanium2, IBM Power4 and Intel Pentium 4 architectures for application of the quantum chemical HF, B3LYP, MP2, CCSD and CCSD(T) methods is investigated, and conclusions on their relative performance are drawn.

Date: 2005
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-540-28555-7_12

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DOI: 10.1007/3-540-28555-5_12

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