Hybrid-Parallel formulation of Fundamental Quantum-Chemical Algorithms
نویسندگان
چکیده
Hybrid-parallel variants of Hartree-Fock, Kohn-Sham and Møller-Plesset second-level perturbation theory are described. Their efficiency with respect to the serial and MPI-based parallel implementations are measured and briefly analyzed. It is shown that while hybrid parallelization provide increased efficiency in all cases, the magnitude of the effect strongly depends on the features of the particular algorithm.
منابع مشابه
Hybrid artificial immune system and simulated annealing algorithms for solving hybrid JIT flow shop with parallel batches and machine eligibility
This research deals with a hybrid flow shop scheduling problem with parallel batching, machine eligibility, unrelated parallel machine, and different release dates to minimize the sum of the total weighted earliness and tardiness (ET) penalties. In parallel batching situation, it is supposed that number of machine in some stages are able to perform a certain number of jobs simultaneously. First...
متن کاملHybrid algorithms for Job shop Scheduling Problem with Lot streaming and A Parallel Assembly Stage
In this paper, a Job shop scheduling problem with a parallel assembly stage and Lot Streaming (LS) is considered for the first time in both machining and assembly stages. Lot Streaming technique is a process of splitting jobs into smaller sub-jobs such that successive operations can be overlapped. Hence, to solve job shop scheduling problem with a parallel assembly stage and lot streaming, deci...
متن کاملA comparison of algorithms for minimizing the sum of earliness and tardiness in hybrid flow-shop scheduling problem with unrelated parallel machines and sequence-dependent setup times
In this paper, the flow-shop scheduling problem with unrelated parallel machines at each stage as well as sequence-dependent setup times under minimization of the sum of earliness and tardiness are studied. The processing times, setup times and due-dates are known in advance. To solve the problem, we introduce a hybrid memetic algorithm as well as a particle swarm optimization algorithm combine...
متن کاملNew Formulation and Solution in PCB Assembly Systems with Parallel Batch processors
This paper considers the scheduling problem of parallel batch processing machines with non-identical job size and processing time. In this paper, a new mathematical model with ready time and batch size constraints is presented to formulate the problem mathematically, in which simultaneous reduction of the makespan and earliness-tardiness is the objective function. In recent years, the nature-in...
متن کاملFIXED-WEIGHT EIGENVALUE OPTIMIZATION OF TRUSS STRUCTURES BY SWARM INTELLIGENT ALGORITHMS
Meta-heuristics have already received considerable attention in various engineering optimization fields. As one of the most rewarding tasks, eigenvalue optimization of truss structures is concerned in this study. In the proposed problem formulation the fundamental eigenvalue is to be maximized for a constant structural weight. The optimum is searched using Particle Swarm Optimization, PSO and i...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- Computer Science (AGH)
دوره 12 شماره
صفحات -
تاریخ انتشار 2011