Distributed computing for quantum reactive scattering calculations
Antonio Laganà, Osvaldo Gervasi, Ranieri Baraglia, Domenico Laforenza · AIP conference proceedings · 1995
A quantum reduced dimensionality reactive scattering code has been ported on a cluster of workstations. The porting has required a drastic restructuring to partition the code in weakly coupled cpu intensive subsections to distribute for execution on concurrent processors. The suitability of the considered approach based on the solution of a two dimension stationary Schroedinger equation to run on a cluster of workstations is analyzed. Performances of related algorithms implemented using both Linda and PVM are also discussed.