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https://doi.org/10.2498/cit.2000.01.03

Performance Analysis, PVM and MPI Implementation of a DSCF Hartree Fock Program

Peter Zinterhof
Othmar Steinhauser
Siegfried Hoefinger


Puni tekst: engleski pdf 224 Kb

str. 19-30

preuzimanja: 680

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Sažetak

A new Direct SCF-Hartree Fock program (DSCF) has been improved by the method of DIIS. (17), (18) General performance measurement tools, as provided on the SGIPower 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 the code. The main cpu-time-consuming subroutine was detected and parallel versions for PVM 3.3 as well as MPI have been deduced. An additional module for the purpose of achieving load-balancewas introduced and obtained speed-up parameters are presented and compared.

Ključne riječi

Hrčak ID:

44849

URI

https://hrcak.srce.hr/44849

Posjeta: 1.016 *