S. Chynoweth, Y. Michopoulos, and U.C. Klomp, A Fast Algorithm for the Computation of Interparticle Forces in Molecular Dynamics Simulations. Parallel Computing and Transputer Applications, IOS Press/CIMNE, (1992), p. 128-137. Home/Search Document Not in Database Summary Related Articles |
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Multi-Million Particle Molecular Dynamics on MPPs - Lomdahl, Beazley (Correct)
....found in the MD literature as a method for reducing the number of floating point 1 Timings reported for the VPP500 are for a 1 million atom simulation on 16 processors (64000 particles processor) Code was compiled with the fvccpx compiler. calculations required for cell based MD algorithms [8]. When run on the T3D, this code runs 43 slower than the unrolled version of Code 2 even though it performs 13 fewer floating point operations and 32 fewer memory operations. In this case the performance degradation is due to additional control (branch) instructions created by the extra if ....
S. Chynoweth, Y. Michopoulos, and U.C. Klomp, A Fast Algorithm for the Computation of Interparticle Forces in Molecular Dynamics Simulations. Parallel Computing and Transputer Applications, IOS Press/CIMNE, (1992), p. 128-137.
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