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Current workflow execution using job scheduling for the NICA experiments 8

Current workflow execution using job scheduling for the NICA...

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Selected Papers of the 8th International Conference "distributed Computing and Grid-Technologies in Science and Education", GRID 2018

作者： Gertsenberger, K.V. Rogachevsky, O.V. Laboratory of High Energy Physics Joint Institute for Nuclear Research 6 Joliot-Curie Dubna Moscow Region141980 Russia

Simulated and experimental data processing is an important issue in modern high-energy physics experiments. High interaction rate and particle multiplicity in addition to the long sequential processing time of million events are the main reasons to parallelize event processing on distributed computing systems for the NICA experiments. the paper presents one of the directions of distributed data processing: job scheduling for user task distribution on computing clusters. the software and hardware environments being used for the current workflow execution are briefly noted. the current MPD-Scheduler system developed to simplify parallel execution of user ROOT macros for simulation, reconstruction and data analysis is described in details. the practical values of the speedup for simulated event processing in the MPD experiment are shown. the possible workflow management systems being under discussion for the NICA experiments are also noted. © 2018 Konstantin V. Gertsenberger, Oleg V. Rogachevsky.

关键词： distributed computer systems

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Properties of the parallel discrete event simulation algorithms on small-world communication networks 8

Properties of the parallel discrete event simulation algorit...

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Selected Papers of the 8th International Conference "distributed Computing and Grid-Technologies in Science and Education", GRID 2018

作者： Ziganurova, Liliia Shchur, Lev Science Center in Chernogolovka Chernogolovka Moscow Region142432 Russia National Research University Higher School of Economics Moscow101000 Russia Landau Institute for Theoretical Physics Chernogolovka Moscow Region142432 Russia

Synchronization aspects in the method of large-scale simulation, knovvn as parallel discrete event simulation (PDES), analyzed using the models of the time profile evolutions. Time profile is formed vvith the local virtual times of the processes. Time profile evolution in the simplest cases reminds the growth of the surface in the models of statistical physics. this simplest case considers only local dependences, the message exchange with the nearest neighbors. In the real simulations, the exchange can be with any of the processes, and we can consider the communication network of messages forms the small-world network. We found the enhancement of synchronization with the growing average shortest path of the small-world network. At the same time, the utilization drops down, although on the moderate level. We present the preliminary results of our study. the work is supported by grant 14-21-00158 of the Russian Science Foundation. © 2018 Liliia Ziganurova, Lev Shchur.

关键词： Synchronization

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Probability-cost approach to optimizing of distributed data storage systems for physical experiments 8

Probability-cost approach to optimizing of distributed data ...

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Selected Papers of the 8th International Conference "distributed Computing and Grid-Technologies in Science and Education", GRID 2018

作者： Trofimov, V.V. Nechaevskiy, A.V. Ososkov, G.A. Priakhina, D.I. Joint Institute for Nuclear Research Joliot-Curie 6 Moscow Region Dubna141980 Russia

there is a problem of choosing the optimal configuration of the necessary computer and network equipment for the storage and processing system of BM@N and MPD experiments that the NICA complex part. A macro-modeling scheme is proposed and implemented to solve this problem. the process of data movements is considered as a byte stream that has a statistical nature, without analyzing individual parts of this stream. A probabilistic approach is used to assess the different equipment configurations: the losses probability of information coming from the detectors for each of these configurations are defined, and one configuration is selected for which this probability does not exceed a predetermined limit and the price is minimal. the structure of the simulation program, the proposed statistical criteria for the system quality and simulation algorithms are described. the results of preliminary calculations for the selection of the optimal data storage system for the BM@N experiment are presented. © 2018 Vladimir V. Trofimov, Andrey V. Nechaevskiy, Gennadiy A. Ososkov, Daria I. Priakhina.

关键词： Probability

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the analysis of parallel structure of populational optimization algorithms 8

The analysis of parallel structure of populational optimizat...

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Selected Papers of the 8th International Conference "distributed Computing and Grid-Technologies in Science and Education", GRID 2018

作者： Ershov, N. Poluyan, S. Lomonosov Moscow State University Faculty of Computational Mathematics and Cybernetics MSU GSP-1 Leninskiye Gory Str. 1 Bdg. 52 Moscow119234 Russia Moscow Region State Educational Institution for Higher Professional Education University Dubna Universitetskaya str. 19 Moscow Region Dubna141982 Russia

the paper is devoted to the problems of coarse-grain parallel implementation of the evolutionary and swarm optimization methods on the example of solving the problem of minimizing the functions of a real argument. A subpopulation and island paralleling schemes are considered. A classification of parallel interaction patterns between subpopulations, based on the structure analysis of a number of population optimization methods, is proposed. A software implementation is described in the form of a template functions library that offers the user a high-level tool for describing population optimization algorithms. the parametrization issues of optimization algorithms with the aim of studying the effectiveness of their parallelization are considered. © 2018 Nikolay M. Ershov, Sergey V. Poluyan.

关键词： Genetic algorithms

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Large scale simulations with parallel annealing algorithm 8

Large scale simulations with parallel annealing algorithm

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Selected Papers of the 8th International Conference "distributed Computing and Grid-Technologies in Science and Education", GRID 2018

作者： Shchur, L.N. Shchur, L.V. Science Center in Chernogolovka Chernogolovka142432 Russia

the effective application of supercomputers does depend on the scalable algorithms which can be used on the millions of cores. In the review, we discuss the possibility of using population annealing algorithm designed for the simulations of the statistical mechanic's systems with rugged free energy landscape. We present a short review report on the present realization of the algorithm on the hybrid computing architecture combining CPU and GPGPU. the algorithm is fully scalable. We review the application of the developed realizations to several interesting problems. the algorithm can be applied to any system of statistical mechanics, described by partition function. © 2018 Lev N. Shchur, Liudmila V. Shchur.

关键词： Annealing

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Molecular dynamic simulation of water vapor interaction with various types of pores using hybrid computing structures 8

Molecular dynamic simulation of water vapor interaction with...

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Selected Papers of the 8th International Conference "distributed Computing and Grid-Technologies in Science and Education", GRID 2018

作者： Korenkov, V.V. Nikonov, E.G. Popovičová, M. Joint Institute for Nuclear Research Dubna Moscow Region141980 Russia University of Prešov Prešov080 01 Slovakia

theoretical and experimental investigations of water vapor interaction with porous materials are very needful for various fields of science and technology. Mathematical modelling plays an important role in these investigations. Conventional approaches to solve problems of mathematical research of the processes of interaction of water vapor with individual pore are the so called micro and macro approaches. the first approach is based on the use of diffusion equation for description of interaction of water vapor with a pore. the second approach is based on various particle methods like Monte-Carlo simulations, molecular dynamics (MD) etc. In MD usage of efficient calculation methods is necessary because the degree of approximation for simulating system is largely determined by the dimensionality of the system of equations being solved at every time step. Number of time steps is also quite large. In this work, a study of efficiency of various implementations algorithms for MD simulation of water vapor interaction with individual pore is carried out. It is also investigated dependence of time required for simulations on different parameters, like number of particles in the system, shape of pores, and so on. the results of parallel calculations are compared with the results obtained by serial calculations. © 2018 Vladimir V. Korenkov, Eduard. G. Nikonov, Maria. Popovičová.

关键词： Porous materials

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Contextual graphical environment for spatial visualisation of numerical experiments in continuum mechanics 8

Contextual graphical environment for spatial visualisation o...

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Selected Papers of the 8th International Conference "distributed Computing and Grid-Technologies in Science and Education", GRID 2018

作者： Khramushin, V.N. Saint Petersburg State University Russia

the usage of open-source and easy-to-modify programme code for spatial visualisation of fast-evolving physical phenomena directly in the course of supercomputer calculations becomes relevant in design, research, construction and subsequent analysis of the validity of the simulated processes in resource-intensive numerical experiments, which is especially important in the study of non-stationary processes in continuum mechanics. Such visualisation has to have minimal impact on computational processes and allow for setting rheological parameters of simulated physical environment and criteria for dynamic and hybrid restructuring of computational processes. Almost any computational platform have embedded graphical means for visualisation of spatial geometrical objects using multi-core processors, which may provide solution to the formulated problem in full measure for parallel visualisation of the current results without substantial impact on the core computational processes. In the present research work we study one possible version of software suite which is based on graphical programming environment OpenGL, surrounded by tools for working with time and interval timers, input devices and text data views at the lowest possible level of direct input/output and interrupt processing in Windows OS. © 2018 Vasily N. Khramushin.

关键词： parallel programming

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On agreement of computational experiment in interactive simulation of the ship hydromechanics on a STORMY sea 8

On agreement of computational experiment in interactive simu...

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Selected Papers of the 8th International Conference "distributed Computing and Grid-Technologies in Science and Education", GRID 2018

作者： Bogdanov, A.V. Degtyarev, A.B. Gankevich, I.V. Khramushin, V.N. Saint Petersburg State University Russia

Implementation of applied numerical experiments either in design phase, or in development and creation of software suites demands unique synthesis of numerical structures that describe physical phenomena to closely meet requirements of efficient application of simulation operations in the context of continuous graphical visualisation of all spatial processes. Requirements for declarative digital specification of ship hull geometry, contour lines of which are defined by continuous but multilvalued functions, are formulated in the context of a particular engineering problem. Key numerical operations define the hull motions in three-dimensional space under the impact of intense sea waves, simulated in the framework of trochoidal theory of group structure of wind waves and swell. Hydrometeorological parameters of sea state and ship dynamics, which are regularly documented in ship bridge in accordance with the standard instructions to seafarers, are used as initial conditions for setup and subsequent validation of direct numerical experiments. © 2018 Alexander V. Bogdanov, Ivan V. Gankevich, Alexander B. Degtyarev, Vasily N. Khramushin.

关键词： Hulls (ship)

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Discrete and global optimization in everest distributed environment by loosely coupled branch-and-bound solvers 8

Discrete and global optimization in everest distributed envi...

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Selected Papers of the 8th International Conference "distributed Computing and Grid-Technologies in Science and Education", GRID 2018

作者： Smirnov, S.A. Voloshinov, V.V. Bolshoy Karetny Per. 19 Build. 1 Moscow127051 Russia

the report presents an approach to solve hard problems of discrete and global optimization in distributed computing environment Everest - a web-based computing platform, http://***. the approach integrates: solvers implementing branch-and-bound (B&B) algorithm;preliminary decomposition of feasible domain and/or B&B multi-search (of the same problem with different settings of B&B algorithm);pool of solvers, which run in parallel and exchange with values of incumbents found by B&B. the report partially sums up results of research and programmatic implementation of coarse-grained (loosely coupled) parallelisation in the form of Everest application called DDBNB, https://***/distcomp/ddbnb. On solving hard geometric combinatorial problems (Tammes problem, thomson problem and Flat Torus Packing problem) finegrained parallel solver ParaSCIP (based on MPI) has been used also. In particular, computing proof of Flat Torus optimal packing for 9 circles has been obtained. Comparison of ParaSCIP and DDBNB performance leads to future plan to improve DDBNB by integration of coarse- and fine-grained parallelism. © 2018 Sergey A. Smirnov, Vladimir V. Voloshinov.

关键词： Global optimization

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Scalability of the parallel strongin algorithm in the problem of optimizing a molecular-dynamic force field 8

Scalability of the parallel strongin algorithm in the proble...

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Selected Papers of the 8th International Conference "distributed Computing and Grid-Technologies in Science and Education", GRID 2018

作者： Shefov, K.S. Stepanova, M.M. St. Petersburg State University 7-9 University Emb. St. Petersburg199034 Russia

Strongin's multifactorial global search algorithm (MGSA) allows one to find an absolute minimum of a function of multiple variables on a mesh. In this contribution a parallel program is presented that implements the algorithm above applied to ReaxFF MD force field parameters search. In case of ReaxFF optimization, computation time of an objective function value significantly exceeds time of data exchange between parallel processes. One is able to speed up computation by obtaining not only one but several function values in various points simultaneously. Our software implements two levels of parallelism To deal with function of multiple variables, one uses a scan for mapping a multidimensional domain of definition of a function into a one-dimensional segment. To decrease the effect of losing information of multi-dimensional points proximity, N scans are used. Function values in N different mesh points are computed in parallel. this is the first level of parallelism To define a mesh point of a next iteration, MGSA finds a subinterval with the most probable location of the minimum and computes an objective function value in a certain point of this subinterval. Function values are also calculated in parallel in (M - 1) subintervals with less probability. this is the second level of parallelism thus the two levels allow one to compute M · N function values in parallel each iteration. In this contribution we research scalability of our MGSA implementation, namely, the dependence of the number of algorithm iterations and time it needs to converge on the number of CPU cores used, separately for each level of parallelism. © 2018 Konstantin S. Shefov, Margarita M. Stepanova.

关键词： Molecular dynamics

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