NSF Award
8916093
The increased availability and capability of supercomputers have increased the utility of rigorous chemistry models and the pool of researchers using them. for most researchers these models are not central to their studies and they utilize standard packages such as Gaussian 88 and CHARMM. Keeping such packages up to date and expanding their capabilities with well vectorized algorithms benefits both individual researchers and the supercomputing centers by making effective use of their resources.``This award is a software capitalization supplement to the cooperative agreement with the Pittsburgh supercomputing Center. It provides resources to accomplish upgrades of Gaussian and CHARMM to the Cray YMP and to broaden he distribution to include, as a minimum, users at the NSF Supercomputer Centers.
