SIMPLE-TS 2D

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Contents

General Information

  • Application's name: Semi-Implicit Method for Pressure-Linked Equations - Time Step
  • Application's acronym: SIMPLE-TS 2D
  • Virtual Research Community: Computational Physics [A2]
  • Scientific contact: Dr. Kiril Shterev, kshterev@imbm.bas.bg
  • Technical contact: Dr. Kiril Shterev, kshterev@imbm.bas.bg
  • Developers: Dr. Kiril Shterev and Prof. Stefan Stefanov, Department of Mathematical Modeling and Numerical Simulations, Institute of Mechanics - BAS, Bulgaria
  • Web site: http://www.imbm.bas.bg/index.php/en_US/pressure-based-finite-volume-method

Short Description

Micro mechanical devices are rapidly emerging technology, where new potential applications are continuously being found. A simulation of internal and external gas flows in or aroundthese devices is important for their design. The flow motions described on the basis of the Navier-Stokes-Fourier compressible equations with diffusion coefficients determined by the first approximation of the Chapman-Enskog theory for the low Knudsen numbers. The gas flows are characterized with areas of low speed flows (low Reynolds numbers). The flows can go from high speed supersonic to very low speed regimes down to the incompressible limit. This made the pressure based numerical methods very suitable to be used for calculation of this kind of gas flows. The finite volume method SIMPLE-TS (a modification of SIMPLE created by K. S. Shterev and S. K. Stefanov) is used.

Problems Solved

Steady and unsteady flow past square in a microchannel.

Scientific and Social Impact

Micro mechanical devices are rapidly emerging technology, where new potential applications are continuously being found. A simulation of internal and external gas flows in or aroundthese devices is important for their design.

Collaborations

  • Institute of Mechanics - BAS
  • Institute of Information and Communication Technologies - BAS

Beneficiaries

Number of users

2

Development Plan

  • Concept: The concept was done before the project started
  • Start of alpha stage: It was done before the project started
  • Start of beta stage: It was done before the project started
  • Start of testing stage: M1
  • Start of deployment stage: М9
  • Start of production stage: М12

SIMPLE-TS 2D is fully developed MPI application for calculation of 2 dimensional gas microflows. The next step of development is to extend the application for calculation of 3 dimensional gas microflows. Start development of 3 dimentional application.

  • Start of concept stage: M13

Resource Requirements

  • Number of cores required for a single run: Strongly depend from calculated problem (from 1 to 600)
  • Minimum RAM/core required: Strongly depend from calculated problem (from 10MB to 2GB per core)
  • Storage space during a single run: Strongly depend from calculated problem (from 10MB to 200GB)
  • Long-term data storage: 50GB
  • Total core hours required: 400 000

Technical Features and HP-SEE Implementation

  • Primary programming language: C++
  • Parallel programming paradigm: SIMD
  • Main parallel code: MPI
  • Pre/post processing code: None
  • Application tools and libraries: C++ compiler

Usage Example

Source code, some examples and publications describing the algorithm and parallel organisations are freely available on: http://www.imbm.bas.bg/index.php/en_US/pressure-based-finite-volume-method

Infrastructure Usage

  • Home system: HPCG
    • Applied for access on: 09.2010
    • Access granted on: 09.2010
    • Achieved scalability: .
  • Accessed production systems:
  1. BlueGene/P
    • Applied for access on: 10.2010
    • Access granted on: 11.2010
    • Achieved scalability: .
  • Porting activities: Access has been provided to the development team not only to high performance cluster with Infiniband interconnect but also to the IBM Blue Gene machine and to a small cluster with GPGPU capability. The issues that arose when porting the application to these architectures were discussed and paths to mitigate the problems were proposed. In the case of IBM Blue Gene the main issue is the high number of processes that need to communicate with one another, which lead to the idea to move to a hybrid OpenMPI-MPI programming model in order to achieve scalability beyoung 1024 CPU cores.
  • Scalability studies: The scalability of this application was stadied on different HPC centers. A good parallel efficiency is optained on HPCG cluster up to 450 cores, on BlueGene/P up to 512 cores, on Debrecen HPC center up to 700 cores, and on Szeged HPC center up to 700 cores.

Running on Several HP-SEE Centres

  • Benchmarking activities and results: Two versions of the SIMPE-TS-2D application were created –(i) before optimization and (ii) after optimization. The speedup after the MPI realizations of the both versions was measured on HPCG cluster at IICT-BAS. The results for speedup up to 100 cores and for two kind of meshes: (i) 500X100 cells and (ii) 1000X200 cells are shown below.

Simple-TS-Figure1.PNG

Speed-up tests of real problem on HP Clusters: Mesh 150 000x30 cells = 4.5million cells

SIMPLE-TS Picture1.png SIMPLE-TS Picture2.png

Sped-up (left) and calculation time (right) on HPCG , Szeged , Debrecen, IBM BlueGene/P


  • Other issues: no

Achieved Results

New version of the algorithm after optimizations was obtained and scalability study was performed. Results for speed-up of parallel realization of the application after/before optimization of the algorithm for different meshes were compared. Problems connection with steady and unsteady flow past square in a microchannel were solved.

Publications

  • K. Shterev, S. Stefanov and E Atanassov, A parallel algorithm with improved performance of Finite Volume Method (SIMPLE-TS), 8th International Conference on "Large-Scale Scientific Computations" June 6-10, 2011, Sozopol, Bulgaria, I. Lirkov, S. Margenov, and J. Wansiewski (Eds.): LSSC 2011, LNCS 7116, ISBN 978-3-642-29842-4, pp. 351–358, 2012. Springer-Verlag Berlin Heidelberg 2012.
  • K. Shterev, S. Stefanov, Influence of reservoirs on pressure driven gas flow in a micro-channel, Application of Mathematics in Technical and Natural Sciences, Albena, Bulgaria, June 20-25, 2011, AIP Conf. Proc. 1404, 122 (2011), ISBN: 978-0-7354-0976-7; doi: 10.1063/1.3659911
  • K. S. Shterev and S. Ivanovska, Comparison of some approximation schemes for convective terms for solving gas flow past a square in a microchanne, APPLICATION OF MATHEMATICS IN TECHNICAL AND NATURAL SCIENCES: 4th International Conference--AMiTaNS '12, 11–16 June 2012, St. Constantine and Helena, Bulgaria, AIP Conf. Proc. 1487, pp. 79-87; ISSN: 978-0-7354-1099-2; doi:http://dx.doi.org/10.1063/1.4758944
  • P. Gospodinov, D. Dankov, V. Roussinov, and G. Markelov, Viscous drag in steady state gas flow between rotating cylinders, AIP Conf. Proc. 1487, 329 (2012), DOI:10.1063/1.4758975
  • K. Shterev and St. Stefanov, Determination of zone of flow instability in a gas flow past a square particle in a narrow microchannel, accepted for publication in HP-SEE UF Proceedings in Springer's series "Modeling and Optimization in Science and Technologies", February, 2013.
  • K. Shterev, E. Atanassov, and St. Stefanov, “GPU calculations of unsteady viscous compressible and heat conductive gas flow at supersonic speed”, Accepted for publication in the proceeding of the 9th LSSC’2013 Conference, Special Volume of Springer Lecture Notes in Computer Science (LNCS), May, 2013.

Presentations

  • K. Shterev, A parallel algorithm with improved performance of Finite Volume Method (SIMPLE-TS), 8th International Conference on "Large-Scale Scientific Computations" June 6-10, 2011, Sozopol, Bulgaria, I. Lirkov, S. Margenov, and J. Wansiewski (Eds.): LSSC 2011, LNCS 7116, ISBN 978-3-642-29842-4, pp. 351–358, 2012. Springer-Verlag Berlin Heidelberg 2012.
  • K. Shterev, Influence of reservoirs on pressure driven gas flow in a micro-channel, Application of Mathematics in Technical and Natural Sciences, Albena, Bulgaria, June 20-25, 2011, AIP Conf. Proc. 1404, 122 (2011), ISBN: 978-0-7354-0976-7; doi: 10.1063/1.3659911
  • K. Shterev, SIMPLE-TS 2D - Finite Volume Method for calculation of 2D gas-microflows using standard MPI, HP-SEE Review 2011.10.24-28, Belgrad, Serbia.
  • K. Shterev and S. Stefanov, Simulation of micro-gas flows\\ in Micro-Electro-Mechanical Systems (MEMS), Workshop SuperCA++ 2012.04.23-24, Bansko, Bulgaria.
  • K. S. Shterev, Comparison of some approximation schemes for convective terms for solving gas flow past a square in a microchanne, APPLICATION OF MATHEMATICS IN TECHNICAL AND NATURAL SCIENCES: 4th International Conference--AMiTaNS '12, 11–16 June 2012, St. Constantine and Helena, Bulgaria, AIP Conf. Proc. 1487, pp. 79-87; doi:http://dx.doi.org/10.1063/1.4758944
  • K. Shterev, Determination of zone of flow instability in a gas flow past a square particle in a microchannel, MECH 20.11.2012, Sofia, Bulgaria

Foreseen Activities

  • The application now is porting on Blue Gene/P and developers expect to obtain new scientific results using this supercomputer.
  • Derivation of a 3D numerical equation using the system of partial differential equation describing unsteady gas microflows.
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