SSP Performance: Gaussian98

Ab initio quantum chemistry

• Version A.7

Probably the single most popular 3rd party application at OSC

Consider mostly CPU bound calculations

Examine

• Overall SSP performance (runtime)
• Floating-point performance
• Memory throughput

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• To round out our single process applications, lets look at a 3rd party application.

• Gaussian is probably the single most popular 3rd party application at OSC and accounts for a significant percentage of the CPU cycles consumed.

• We looked at 3 "representative" problems, mostly cpu bound, which were provided by one of our users