J.F. Janak
Journal of Applied Physics
We describe two algorithms for the parallel calculation of a CHARMm‐like force field in macromolecules. For a molecule with a given number of atoms, we show that there is an optimal number of processors leading to a minimum computation time. At the optimum, both the number of processors and the computation time are proportional to the number of atoms. © 1992 by John Wiley & Sons, Inc. Copyright © 1992 John Wiley & Sons, Inc.
J.F. Janak
Journal of Applied Physics
D.M. Newns, P.C. Pattnaik
Physical Review B - CMMP
J.F. Janak
Solid State Communications
H. Franke, P.C. Pattnaik, et al.
Frontiers 1996