Performance Analysis and Derived Parallelization Strategy for a SCF Program at the Hartree Fock Level

Authors:
Siegfried Höfinger;Othmar Steinhauser;Peter Zinterhof
Affiliations:
-;-;-
Venue:
ParNum '99 Proceedings of the 4th International ACPC Conference Including Special Tracks on Parallel Numerics and Parallel Computing in Image Processing, Video Processing, and Multimedia: Parallel Computation
Year:
1999

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Abstract

General performance measurement tools, as provided on a SGI-Power Challenge/R10000 (194 MHz) running IRIX 6.2, which are the shell-commands perfex -a a.out and ssrun -[pcsampl, ideal, usertime] a.out, have been used for profiling a new SCF-program based on the Hartree Fock theory. The main cpu-time-consuming subroutine was detected and a parallel version with PVM 3.3 at a host-node model has been deduced. Speed-up parameters are presented and discussed.