Slide 4 of 17
In the chart we present comparative timings for Jaguar and two other commercial ab initio packages. The timings were taken from single-point MP2 energy calculations for a series of molecules of increasing sizes. All CPU times are normalized. One of the packages failed to run for the larger test cases. As the chart clearly shows, jaguar exhibits superior performance in every case, but even more importantly, the performance advantage becomes more pronounced as the molecular system grows. In short, the bigger the problem, the better Jaguar performs.