scholarly journals A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc 5.5.7-3.1.2

2015 ◽  
Vol 8 (10) ◽  
pp. 3333-3348 ◽  
Author(s):  
W. He ◽  
C. Beyer ◽  
J. H. Fleckenstein ◽  
E. Jang ◽  
O. Kolditz ◽  
...  
Keyword(s):  
Chemical Reactions ◽  
Message Passing ◽  
Reactive Transport ◽  
High Performance ◽  
Message Passing Interface ◽  
Coupled Processes ◽  
Scientific Software ◽  
Wide Range ◽  
Optimized Allocation ◽  
Set Up

Abstract. The open-source scientific software packages OpenGeoSys and IPhreeqc have been coupled to set up and simulate thermo-hydro-mechanical-chemical coupled processes with simultaneous consideration of aqueous geochemical reactions faster and easier on high-performance computers. In combination with the elaborated and extendable chemical database of IPhreeqc, it will be possible to set up a wide range of multiphysics problems with numerous chemical reactions that are known to influence water quality in porous and fractured media. A flexible parallelization scheme using MPI (Message Passing Interface) grouping techniques has been implemented, which allows an optimized allocation of computer resources for the node-wise calculation of chemical reactions on the one hand and the underlying processes such as for groundwater flow or solute transport on the other. This technical paper presents the implementation, verification, and parallelization scheme of the coupling interface, and discusses its performance and precision.

scholarly journals A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc

2015 ◽  
Vol 8 (3) ◽  
pp. 2369-2402
Author(s):  
W. He ◽  
C. Beyer ◽  
J. H. Fleckenstein ◽  
E. Jang ◽  
O. Kolditz ◽  
...  
Keyword(s):  
Message Passing ◽  
Reactive Transport ◽  
Message Passing Interface ◽  
Transport Processes ◽  
Coupled Processes ◽  
Scientific Software ◽  
Geochemical Reactions ◽  
Optimized Allocation ◽  
And Performance ◽  
The One

Abstract. This technical paper presents an efficient and performance-oriented method to model reactive mass transport processes in environmental and geotechnical subsurface systems. The open source scientific software packages OpenGeoSys and IPhreeqc have been coupled, to combine their individual strengths and features to simulate thermo-hydro-mechanical-chemical coupled processes in porous and fractured media with simultaneous consideration of aqueous geochemical reactions. Furthermore, a flexible parallelization scheme using MPI (Message Passing Interface) grouping techniques has been implemented, which allows an optimized allocation of computer resources for the node-wise calculation of chemical reactions on the one hand, and the underlying processes such as for groundwater flow or solute transport on the other hand. The coupling interface and parallelization scheme have been tested and verified in terms of precision and performance.

Multi-level Parallelization of Genotype Imputation on Supercomputers

2020 ◽  
Vol 15 ◽  
Author(s):  
Weiwen Zhang ◽  
Long Wang ◽  
Theint Theint Aye ◽  
Juniarto Samsudin ◽  
Yongqing Zhu
Keyword(s):  
Association Study ◽  
Message Passing ◽  
High Performance ◽  
Message Passing Interface ◽  
Genome Wide Association Study ◽  
Job Scheduling ◽  
Genotype Imputation ◽  
Job Level ◽  
Multi Level ◽  
High Performance Requirement

Background: Genotype imputation as a service is developed to enable researchers to estimate genotypes on haplotyped data without performing whole genome sequencing. However, genotype imputation is computation intensive and thus it remains a challenge to satisfy the high performance requirement of genome wide association study (GWAS). Objective: In this paper, we propose a high performance computing solution for genotype imputation on supercomputers to enhance its execution performance. Method: We design and implement a multi-level parallelization that includes job level, process level and thread level parallelization, enabled by job scheduling management, message passing interface (MPI) and OpenMP, respectively. It involves job distribution, chunk partition and execution, parallelized iteration for imputation and data concatenation. Due to the design of multi-level parallelization, we can exploit the multi-machine/multi-core architecture to improve the performance of genotype imputation. Results: Experiment results show that our proposed method can outperform the Hadoop-based implementation of genotype imputation. Moreover, we conduct the experiments on supercomputers to evaluate the performance of the proposed method. The evaluation shows that it can significantly shorten the execution time, thus improving the performance for genotype imputation. Conclusion: The proposed multi-level parallelization, when deployed as an imputation as a service, will facilitate bioinformatics researchers in Singapore to conduct genotype imputation and enhance the association study.

A high-performance, portable implementation of the MPI message passing interface standard

1996 ◽  
Vol 22 (6) ◽  
pp. 789-828 ◽  
Author(s):  
William Gropp ◽  
Ewing Lusk ◽  
Nathan Doss ◽  
Anthony Skjellum
Keyword(s):  
Message Passing ◽  
High Performance ◽  
Message Passing Interface

Based on Numerical Simulation of High-Performance Parallel Machine Muffler Experimental Calibration

2013 ◽  
Vol 718-720 ◽  
pp. 1645-1650
Author(s):  
Gen Yin Cheng ◽  
Sheng Chen Yu ◽  
Zhi Yong Wei ◽  
Shao Jie Chen ◽  
You Cheng
Keyword(s):  
Numerical Simulation ◽  
Finite Element ◽  
Boundary Element ◽  
Message Passing ◽  
High Performance ◽  
Message Passing Interface ◽  
Parallel Machine ◽  
Simulation Software ◽  
Experimental Calibration ◽  
The Cost

Commonly used commercial simulation software SYSNOISE and ANSYS is run on a single machine (can not directly run on parallel machine) when use the finite element and boundary element to simulate muffler effect, and it will take more than ten days, sometimes even twenty days to work out an exact solution as the large amount of numerical simulation. Use a high performance parallel machine which was built by 32 commercial computers and transform the finite element and boundary element simulation software into a program that can running under the MPI (message passing interface) parallel environment in order to reduce the cost of numerical simulation. The relevant data worked out from the simulation experiment demonstrate that the result effect of the numerical simulation is well. And the computing speed of the high performance parallel machine is 25 ~ 30 times a microcomputer.

scholarly journals A lightweight approach to performance portability with targetDP

2016 ◽  
Vol 32 (2) ◽  
pp. 288-301
Author(s):  
Alan Gray ◽  
Kevin Stratford
Keyword(s):  
Particle Physics ◽  
Message Passing ◽  
Graphics Processing Units ◽  
High Performance ◽  
Large Scale ◽  
Message Passing Interface ◽  
Graphics Processing Unit ◽  
Processing Unit ◽  
Performance Portability ◽  
Graphics Processing

Leading high performance computing systems achieve their status through use of highly parallel devices such as NVIDIA graphics processing units or Intel Xeon Phi many-core CPUs. The concept of performance portability across such architectures, as well as traditional CPUs, is vital for the application programmer. In this paper we describe targetDP, a lightweight abstraction layer which allows grid-based applications to target data parallel hardware in a platform agnostic manner. We demonstrate the effectiveness of our pragmatic approach by presenting performance results for a complex fluid application (with which the model was co-designed), plus separate lattice quantum chromodynamics particle physics code. For each application, a single source code base is seen to achieve portable performance, as assessed within the context of the Roofline model. TargetDP can be combined with Message Passing Interface (MPI) to allow use on systems containing multiple nodes: we demonstrate this through provision of scaling results on traditional and graphics processing unit-accelerated large scale supercomputers.

Message-Passing-Interface MPI Parallelization of Iteratively Coupled Fluid Flow and Geomechanics Codes for the Simulation of System Behavior in Hydrate-Bearing Geologic Media

2021 ◽  
Author(s):  
Jiecheng Zhang ◽  
George Moridis ◽  
Thomas Blasingame
Keyword(s):  
Message Passing ◽  
High Performance ◽  
Message Passing Interface ◽  
Gas Production ◽  
Parallel Performance ◽  
Group 3 ◽  
Linux Cluster ◽  
Group 2 ◽  
3D Problem ◽  
Group 1

Abstract The Reservoir GeoMechanics Simulator (RGMS), a geomechanics simulator based on the finite element method and parallelized using the Message Passing Interface (MPI), is developed in this work to model the stresses and deformations in subsurface systems. RGMS can be used stand-alone, or coupled with flow and transport models. pT+H V1.5, a parallel MPI-based version of the serial T+H V1.5 code that describes mass and heat flow in hydrate-bearing porous media, is also developed. Using the fixed-stress split iterative scheme, RGMS is coupled with the pT+H V1.5 to investigate the geomechanical responses associated with gas production from hydrate accumulations. The code development and testing process involve evaluation of the parallelization and of the coupling method, as well as verification and validation of the results. The parallel performance of the codes is tested on the Ada Linux cluster of the Texas A&M High Performance Research Computing using up to 512 processors, and on a Mac Pro computer with 12 processors. The investigated problems are: Group 1: Geomechanical problems solved by RGMS in 2D Cartesian and cylindrical domains and a 3D problem, involving 4x106 and 3.375 x106 elements, respectively; Group 2: Realistic problems of gas production from hydrates using pT+H V1.5 in 2D and 3D systems with 2.45x105 and 3.6 x106 elements, respectively; Group 3: The 3D problem in Group 2 solved with the coupled RGMS-pT+H V1.5 simulator, fully accounting for geomechanics. Two domain partitioning options are investigated on the Ada Linux cluster and the Mac Pro, and the code parallel performance is monitored. On the Ada Linux cluster using 512 processors, the simulation speedups (a) of RGMS are 218.89, 188.13, and 284.70 in the Group 1 problems, (b) of pT+H V1.5 are 174.25 and 341.67 in the Group 2 cases, and (c) of the coupled simulators is 331.80 in Group 3. The results produced in this work show the necessity of using full geomechanics simulators in marine hydrate-related studies because of the associated pronounced geomechanical effects on production and displacements and (b) the effectiveness of the parallel simulators developed in this study, which can be the only realistic option in these complex simulations of large multi-dimensional domains.

Custom Built of Smart Computing Platform for Supporting Optimization Methods and Artificial Intelligence Research

2021 ◽  
Vol 58 (S) ◽  
pp. 59-64
Author(s):  
Indar Sugiarto ◽  
Doddy Prayogo ◽  
Henry Palit ◽  
Felix Pasila ◽  
Resmana Lim ◽  
...  
Keyword(s):  
Artificial Intelligence ◽  
Message Passing ◽  
Graphics Processing Units ◽  
High Performance ◽  
Message Passing Interface ◽  
Optimization Methods ◽  
Computer Hardware ◽  
Production Environment ◽  
Computing Platform ◽  
Commercial Off The Shelf

This paper describes a prototype of a computing platform dedicated to artificial intelligence explorations. The platform, dubbed as PakCarik, is essentially a high throughput computing platform with GPU (graphics processing units) acceleration. PakCarik is an Indonesian acronym for Platform Komputasi Cerdas Ramah Industri Kreatif, which can be translated as “Creative Industry friendly Intelligence Computing Platform”. This platform aims to provide complete development and production environment for AI-based projects, especially to those that rely on machine learning and multiobjective optimization paradigms. The method for constructing PakCarik was based on a computer hardware assembling technique that uses commercial off-the-shelf hardware and was tested on several AI-related application scenarios. The testing methods in this experiment include: high-performance lapack (HPL) benchmarking, message passing interface (MPI) benchmarking, and TensorFlow (TF) benchmarking. From the experiment, the authors can observe that PakCarik's performance is quite similar to the commonly used cloud computing services such as Google Compute Engine and Amazon EC2, even though falls a bit behind the dedicated AI platform such as Nvidia DGX-1 used in the benchmarking experiment. Its maximum computing performance was measured at 326 Gflops. The authors conclude that PakCarik is ready to be deployed in real-world applications and it can be made even more powerful by adding more GPU cards in it.

Parallelization of the Lattice Boltzmann Method in Simulating Buoyancy-Driven Convection Heat Transfer

2004 ◽  
Author(s):  
Anoosheh Niavarani-Kheirier ◽  
Masoud Darbandi ◽  
Gerry E. Schneider
Keyword(s):  
Lattice Boltzmann Method ◽  
Lattice Boltzmann ◽  
Message Passing ◽  
Large Scale ◽  
Message Passing Interface ◽  
Parallel Machines ◽  
Convection Heat Transfer ◽  
Wide Range ◽  
Buoyancy Driven Convection ◽  
Boltzmann Method

The main objective of the current work is to utilize Lattice Boltzmann Method (LBM) for simulating buoyancy-driven flow considering the hybrid thermal lattice Boltzmann equation (HTLBE). After deriving the required formulations, they are validated against a wide range of Rayleigh numbers in buoyancy-driven square cavity problem. The performance of the method is investigated on parallel machines using Message Passing Interface (MPI) library and implementing domain decomposition technique to solve problems with large order of computations. The achieved results show that the code is highly efficient to solve large scale problems with excellent speedup.

Angara interconnect makes GPU-based Desmos supercomputer an efficient tool for molecular dynamics calculations

2019 ◽  
Vol 33 (3) ◽  
pp. 507-521 ◽  
Author(s):  
Vladimir Stegailov ◽  
Ekaterina Dlinnova ◽  
Timur Ismagilov ◽  
Mikhail Khalilov ◽  
Nikolay Kondratyuk ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Message Passing ◽  
High Performance ◽  
Message Passing Interface ◽  
Job Scheduling ◽  
Cost Effective ◽  
Test Bed ◽  
Molecular Dynamics Calculations ◽  
High Bandwidth ◽  
Network Topologies

In this article, we describe the Desmos supercomputer that consists of 32 hybrid nodes connected by a low-latency high-bandwidth Angara interconnect with torus topology. This supercomputer is aimed at cost-effective classical molecular dynamics calculations. Desmos serves as a test bed for the Angara interconnect that supports 3-D and 4-D torus network topologies and verifies its ability to unite massively parallel programming systems speeding-up effectively message-passing interface (MPI)-based applications. We describe the Angara interconnect presenting typical MPI benchmarks. Desmos benchmarks results for GROMACS, LAMMPS, VASP and CP2K are compared with the data for other high-performance computing (HPC) systems. Also, we consider the job scheduling statistics for several months of Desmos deployment.

scholarly journals HPC simulations of brownout: A noninteracting particles dynamic model

2020 ◽  
Vol 34 (3) ◽  
pp. 267-281
Author(s):  
Roberto Porcù ◽  
Edie Miglio ◽  
Nicola Parolini ◽  
Mattia Penati ◽  
Noemi Vergopolan
Keyword(s):  
Message Passing ◽  
High Performance ◽  
Message Passing Interface ◽  
Graphics Processing Unit ◽  
Time Integration ◽  
Computational Cost ◽  
Aircraft Design ◽  
Euler Method ◽  
Processing Unit ◽  
Integration Algorithm

Helicopters can experience brownout when flying close to a dusty surface. The uplifting of dust in the air can remarkably restrict the pilot’s visibility area. Consequently, a brownout can disorient the pilot and lead to the helicopter collision against the ground. Given its risks, brownout has become a high-priority problem for civil and military operations. Proper helicopter design is thus critical, as it has a strong influence over the shape and density of the cloud of dust that forms when brownout occurs. A way forward to improve aircraft design against brownout is the use of particle simulations. For simulations to be accurate and comparable to the real phenomenon, billions of particles are required. However, using a large number of particles, serial simulations can be slow and too computationally expensive to be performed. In this work, we investigate an message passing interface (MPI) + graphics processing unit (multi-GPU) approach to simulate brownout. In specific, we use a semi-implicit Euler method to consider the particle dynamics in a Lagrangian way, and we adopt a precomputed aerodynamic field. Here, we do not include particle–particle collisions in the model; this allows for independent trajectories and effective model parallelization. To support our methodology, we provide a speedup analysis of the parallelization concerning the serial and pure-MPI simulations. The results show (i) very high speedups of the MPI + multi-GPU implementation with respect to the serial and pure-MPI ones, (ii) excellent weak and strong scalability properties of the implemented time-integration algorithm, and (iii) the possibility to run realistic simulations of brownout with billions of particles at a relatively small computational cost. This work paves the way toward more realistic brownout simulations, and it highlights the potential of high-performance computing for aiding and advancing aircraft design for brownout mitigation.

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