PC GAMESS v. 7.0.1 standard MCQDPT2 benchmark results on modern hardware


 

Opteron 285

Dempsey 3.2 GHz

Woodcrest 2.66 GHz

Wall clock time,

seconds

197493.8

(input, output)

181770.7

(input, output)

118712.5

(input, output)

 


OS and hardware description


AMD Opteron 285 2.6 GHz, Rev. E, dual processor (four CPU cores), Sun Galaxy X4100, 8x1024 MB DDR 400 ECC Registered RAM, 74GB Fujitsu 10K SAS Drive, Linux RHEL AMD64 Release 3.

Intel Xeon DP 5060 (Dempsey, Netburst core) 3.2 GHz, 1067 MHz FSB, dual-processor (four CPU cores), Bensley platform, 4 GB DDR2 667 MHz RAM, 120 GB IDE HDD, Windows 2003 Enterprise Edition x64

Intel Xeon 5150 (Woodcrest, Core 2 core) 2.66 GHz, dual-processor (four CPU cores), SuperMicro X7DB8+ baseboard with Blackford chipset, 8x1024 MB DDR2 667 MHz RAM, 120 GB IDE HDD, Windows 2003 Enterprise Edition x64 SP 2 beta 1


In all cases, PC GAMESS used all four CPU cores running in multithreaded mode. In addition, on Dempsey-based system, PC GAMESS used all eight logical processors for better performance.

Note, this benchmark does not use our resolvent-fitting (aka table-driven) approach! However, some results for resolvent fitting code are available here


Test description

Single-point semi-direct two-state MCQDPT2 energy for medium-size system (retinal molecule, cc-pVDZ, 565 Cartesian basis functions, CAS(12,12)). View image



Other pages containing results for the same benchmark



Copyright © 2006 by Alex A. Granovsky

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