Computing for Quantum Chemistry

June 2005
The benchmark report (using Gaussian 03, test job # 397) is presented below:

In June 2005, the author was working at Stanford University and visited both AMD and Intel headoffices. I was priviledged to be one of the first computational chemists to test the performance of very new dual-core Opteron -based servers. Many thanks to Ed Gasiorowski (AMD) and Mike Fay (Colfax International) for providing the computer hardware for my benchmark work.

Gaussian 03 benchmarks for Intel and AMD dual-CPU computers

For these tests:

For more information about the performance of multicore AMD processors for quantum chemical applications, you can also refer to the article of Mikhail Kuzminsky in Open Systems (in Russian)