Such alternatives are being explored in accordance with federal requirements to replace current refrigerants. This problem involves 20,000 CRAY Y-MP hours per dislocation pathway. The final example involves protein engineering for bioremediation. The challenge here is that the enzymes may have hundreds of thousands of atoms. Moreover, a huge amount of Cray time is required to compute even a very small percentage of the enzyme's activity.
Researchers are confident that their goals can be reached.
To fully achieve their goals, however, the researchers agree that they need portable, high-performance math libraries. U.S. companies are actively involved in Grand Challenge efforts. In particular, they need access to libraries of FFTs, random number generators, and fully distributed dense linear algebra solvers with flexible data structures. One very encouraging note is the broad involvement of the chemical, metallurgical, petroleum, and pharmaceutical industries in addressing these Grand Challenge problems. Industrial corporations are collaborating with computational chemists, biologists, and materials scientists in universities and national laboratories.