Current Situation of High-Performance Computing

The current situation of the fragment MO method as a program for the high-performance computing is the following.

It is revealed that FMO calculations can exhibit peta-scale performance in the next-generation supercomputer. However, it is also known that the present applications have significant problems in:

and may not be executed in the peta-scale machines.

Last modified: Mon Nov 28 01:14:57 JST 2011