Abstract: Improvements in a molecular-dynamic simulator provide ways to save energy during computation and reduce die area consumed on an integrated circuit. Examples of such improvements include different interaction modules for different ranges, the use of streaming along rows while multicasting along columns in an array of interaction modules, the selection of computation units based on balancing computational costs and communication costs, the use of fences in networks that connect computation units, and the use of bond calculators to carry out specialized bond calculations.

Abstract: A method for implementing sign extension within a multi-precision multiplier is described. The method includes receiving a first input within a multiplier core of the multiplier, receiving a second input within the multiplier core, and creating partial products in the multiplier core using the first and second inputs. The method also includes summing up the partial products in a partial product reduction tree in the multiplier core. The method also includes performing sign extension within the partial product reduction tree of the multiplier core by adding a value to a partial product of the partial product reduction tree. The method further includes computing an output from the partial product reduction tree, the output including a final product of the first and second inputs signed extended to a desired width.