Optimal allocation of replicas to processors in parallel tempering simulations

Article Abstract:

A theory for the optimal allocation of replicas to a homogeneous or heterogeneous set of processors in parallel tempering simulations on multiprocessor machines is presented. The results reveals that random fluctuations in the execution time of each replica do not significantly degrade the performance of the scheduler, and hence it is possible without substantially increasing the wall clock time to achieve nearly perfect utilization of CPU time.

Analysis, Usage, Simulation methods, Simulation, Chemistry, Physical and theoretical, Physical chemistry, Multiprocessors, Multiprocessor computers

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Markov chains of infinite order and asymptotic satisfaction of balance: Application to the adaptive integration method

Article Abstract:

A general condition for the convergence of a Monte Carlo method whose history dependence is contained within the simulated density distribution is derived. The findings indicate that the detailed balance need not be satisfied at all times in a Monte Carlo simulation.

Science & research, Markov processes, Monte Carlo method, Monte Carlo methods, Processes, Infinite, Infinite processes

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Disorder-induced time-dependent diffusion in zeolites

Article Abstract:

Disorder-induced time-dependent diffusion in zeolites was examined.

Zeolites, Diffusion, Diffusion (Physics)

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