DETECTING SECONDARY BOTTLENECKS IN PARALLEL QUANTUM CHEMISTRY APPLICATIONS USING MPI

DOI10.1142/S0129183108011899zbMath1154.82301MaRDI QIDQ3528662

J. Volkert, Ulrich H. E. Hansmann, D. Kranzlmüller, Siegfried Höfinger, Reema Mahajan

Publication date: 17 October 2008

Published in: International Journal of Modern Physics C (Search for Journal in Brave)

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Atomic physics (81V45) Complexity and performance of numerical algorithms (65Y20)

Uses Software

• GREMLIN
• PAPI
• Gprof
• Unnamed Item

Cites Work

• ScaLAPACK Users' Guide

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