Computational Steering of Interactive Material Flow Simulations

2008 ◽  
Author(s):  
Stefan Lietsch ◽  
Christoph Laroque ◽  
Henning Zabel
Keyword(s):  
Fluid Dynamics ◽  
Molecular Dynamics ◽  
Material Flow ◽  
High Performance ◽  
Flow Simulation ◽  
Computational Steering ◽  
Flow Simulations ◽  
Distributed Simulations ◽  
Computational Fluid Dynamics Cfd ◽  
Performance Computing

In this paper we present the integration of computational steering techniques into the interactive material flow simulation d3FACT insight. This kind of simulation differs from traditional, long running High Performance Computing (HPC) simulations such as Computational Fluid Dynamics (CFD) or Molecular Dynamics in many aspects. One very important aspect is that these simulations run in (soft) real-time, thus the corresponding visualization needs to be updated after every step of the simulation. In turn, this allows to let changes, made through the visualization, impact the actual simulation and again, to see the effects in visualization. To allow this kind of control over the simulation and to further provide a flexible basis to integrate several instances of simulation, visualization and steering components, we used and enhanced a self-developed computational steering platform, which fits best for the needs of highly interactive and distributed simulations. Thereby we are able to realize multi-user and comparative scenarios which were not possible in this field of simulations before.

GPU-accelerated molecular dynamics: State-of-art software performance and porting from Nvidia CUDA to AMD HIP

2021 ◽  
pp. 109434202110082
Author(s):  
Nikolay Kondratyuk ◽  
Vsevolod Nikolskiy ◽  
Daniil Pavlov ◽  
Vladimir Stegailov
Keyword(s):  
Molecular Dynamics ◽  
High Performance ◽  
Software Performance ◽  
Computing Systems ◽  
Accelerated Molecular Dynamics ◽  
Nvidia Cuda ◽  
Software And Hardware ◽  
Management Capabilities ◽  
Utilization Time ◽  
Performance Computing

Classical molecular dynamics (MD) calculations represent a significant part of the utilization time of high-performance computing systems. As usual, the efficiency of such calculations is based on an interplay of software and hardware that are nowadays moving to hybrid GPU-based technologies. Several well-developed open-source MD codes focused on GPUs differ both in their data management capabilities and in performance. In this work, we analyze the performance of LAMMPS, GROMACS and OpenMM MD packages with different GPU backends on Nvidia Volta and AMD Vega20 GPUs. We consider the efficiency of solving two identical MD models (generic for material science and biomolecular studies) using different software and hardware combinations. We describe our experience in porting the CUDA backend of LAMMPS to ROCm HIP that shows considerable benefits for AMD GPUs comparatively to the OpenCL backend.

scholarly journals SIMULASI DISTRIBUSI TEMPERATUR DAN KELEMBABAN RELATIF RUANGAN DARI SISTEM DEHUMIDIFIKASI MENGGUNAKAN COMPUTATIONAL FLUIDS DYNAMICS (CFD)

ROTASI ◽  
2017 ◽  
Vol 19 (1) ◽  
pp. 1
Author(s):  
Eflita Yohana ◽  
Bambang Yunianto ◽  
Ade Eva Diana
Keyword(s):  
Fluid Dynamics ◽  
Computational Fluid Dynamics ◽  
Flow Simulation ◽  
Liquid Desiccant ◽  
Humidity Ratio ◽  
Computational Fluids Dynamics ◽  
Computational Fluids ◽  
Computational Fluid Dynamics Cfd

Dehumidifikasi merupakan proses pengurangan kadar uap air  yang berpengaruh terhadap besar nilai kelembaban relatif dan temperatur suatu ruangan. Dalam mengkondisikan kadar uap air dalam suatu ruangan tersebut agar dapat sesuai dengan kebutuhan, maka perlu diketahui distribusi kelembaban relatif dan temperatur dalam ruangan menggunakan Computational Fluid Dynamics (CFD). Pada penelitian ini, pengambilan data dilakukan selama 20 menit dan dilakukan pada pukul 08.00 WIB.  Liquid desiccant yang digunakan dijaga pada temperatur 10°C dengan variasi konsentrasi 40% dan 50%. Sensor DHT 11 dipasang pada lima sisi, atap, dinding, lantai, inlet, outlet, yang berfungsi untuk mencatat perubahan kelembaban dan temperatur selama pengujian berlangsung. Pada kondisi normal tanpa menyalakan alat dehumidifier, sensor mencatat temperatur rata-rata di dalam ruangan sebesar 29,9°C dan RH 58,9%. Simulasi dilakukan menggunakan software CFD Solidworks Flow Simulation 2014. Validasi hasil eksperimen dengan hasil simulasi dengan membandingan bahwa liquid desiccant 40% dan 50%, nozzle sprayer 0.2 mm dengan temperatur yang dijaga pada 10°C mempunyai distribusi yang cukup merata dengan konsentrasi 40% memiliki nilai RH terendah sebesar 65,21%, nilai RH tertinggi sebesar 68,99%, nilai ω = 18 gr/kg, serta mempunyai temperatur tertinggi 31,11°C dan temperatur terendah 30,05°C. Sedangkan dengan konsentrasi 50% distribusi dalam ruangan juga cukup merata karena memiliki nilai RH terendah sebesar 59,21%., nilai RH tertinggi sebesar 62,80%, nilai ω = 17 gr/kg, serta mempunyai temperatur tertinggi 31,71°C dan temperatur terendah 30,93°C. Sehingga liquid desiccant dengan konsentrasi 50% mempunyai nilai Humidity Ratio (ω) lebih rendah dibandingkan dengan yang memiliki konsentrasi 40%.

Numerical Prediction of Blended Wing Body Aerodynamic Characteristics at Subsonic Speed

2014 ◽  
Vol 71 (2) ◽  
Author(s):  
Pang Jung Hoe ◽  
Nik Ahmad Ridhwan Nik Mohd
Keyword(s):  
Fluid Dynamics ◽  
Computational Fluid Dynamics ◽  
High Performance ◽  
Aerodynamic Characteristic ◽  
Aerodynamic Characteristics ◽  
Numerical Prediction ◽  
Navier Stokes ◽  
Subsonic Speed ◽  
Computational Fluid Dynamics Cfd ◽  
Blended Wing Body

The need for high performance and green aircraft has brought the blended wing (BWB) aircraft concept to the centre of interest for many researchers. BWB is a type of aircraft characterized by a complex blending geometry between fuselage and wing. Recently, many researches had been performed to unlock its aerodynamic complexity that is still not well understood. In this paper, aerodynamic characteristic of a baseline BWB configuration derived from simple conventional aircraft configuration was analysed using the Reynolds-averaged Navier-Stokes computational fluid dynamics (CFD) solver. The main objectives of this work are to predict the aerodynamic characteristics of the BWB concept at steady flight conditions and at various pitch angles. The results obtained are then compared against a simple conventional aircraft configuration (CAC). The results show that the BWB configuration used has 24% higher L/D ratio than the CAC. The increment to the L/D however is mainly due to lower drag than the improvement in the lift. 

scholarly journals Programming Heterogeneous Clusters with Accelerators Using Object-Based Programming

2011 ◽  
Vol 19 (1) ◽  
pp. 47-62 ◽  
Author(s):  
David M. Kunzman ◽  
Laxmikant V. Kalé
Keyword(s):  
Molecular Dynamics ◽  
High Performance ◽  
Programming Model ◽  
Runtime System ◽  
Heterogeneous Cluster ◽  
Heterogeneous Clusters ◽  
Cache Hierarchies ◽  
Object Based ◽  
Application Data ◽  
Performance Computing

Heterogeneous clusters that include accelerators have become more common in the realm of high performance computing because of the high GFlop/s rates such clusters are capable of achieving. However, heterogeneous clusters are typically considered hard to program as they usually require programmers to interleave architecture-specific code within application code. We have extended the Charm++ programming model and runtime system to support heterogeneous clusters (with host cores that differ in their architecture) that include accelerators. We are currently focusing on clusters that include commodity processors, Cell processors, and Larrabee devices. When our extensions are used to develop code, the resulting code is portable between various homogeneous and heterogeneous clusters that may or may not include accelerators. Using a simple example molecular dynamics (MD) code, we demonstrate our programming model extensions and runtime system modifications on a heterogeneous cluster comprised of Xeon and Cell processors. Even though there is no architecture-specific code in the example MD program, it is able to successfully make use of three core types, each with a different ISA (Xeon, PPE, SPE), three SIMD instruction extensions (SSE, AltiVec/VMX and the SPE's SIMD instructions), and two memory models (cache hierarchies and scratchpad memories) in a single execution. Our programming model extensions abstract away hardware complexities while our runtime system modifications automatically adjust application data to account for architectural differences between the various cores.

scholarly journals A computational fluid dynamics simulation framework for ventricular catheter design optimization

2018 ◽  
Vol 129 (4) ◽  
pp. 1067-1077 ◽  
Author(s):  
Sofy H. Weisenberg ◽  
Stephanie C. TerMaath ◽  
Charlotte N. Barbier ◽  
Judith C. Hill ◽  
James A. Killeffer
Keyword(s):  
Fluid Dynamics ◽  
Computational Fluid Dynamics ◽  
Standard Deviation ◽  
High Performance Computing ◽  
High Performance ◽  
Ventricular Catheter ◽  
Simulation Framework ◽  
Flow Rates ◽  
Catheter Design ◽  
Performance Computing

OBJECTIVECerebrospinal fluid (CSF) shunts are the primary treatment for patients suffering from hydrocephalus. While proven effective in symptom relief, these shunt systems are plagued by high failure rates and often require repeated revision surgeries to replace malfunctioning components. One of the leading causes of CSF shunt failure is obstruction of the ventricular catheter by aggregations of cells, proteins, blood clots, or fronds of choroid plexus that occlude the catheter’s small inlet holes or even the full internal catheter lumen. Such obstructions can disrupt CSF diversion out of the ventricular system or impede it entirely. Previous studies have suggested that altering the catheter’s fluid dynamics may help to reduce the likelihood of complete ventricular catheter failure caused by obstruction. However, systematic correlation between a ventricular catheter’s design parameters and its performance, specifically its likelihood to become occluded, still remains unknown. Therefore, an automated, open-source computational fluid dynamics (CFD) simulation framework was developed for use in the medical community to determine optimized ventricular catheter designs and to rapidly explore parameter influence for a given flow objective.METHODSThe computational framework was developed by coupling a 3D CFD solver and an iterative optimization algorithm and was implemented in a high-performance computing environment. The capabilities of the framework were demonstrated by computing an optimized ventricular catheter design that provides uniform flow rates through the catheter’s inlet holes, a common design objective in the literature. The baseline computational model was validated using 3D nuclear imaging to provide flow velocities at the inlet holes and through the catheter.RESULTSThe optimized catheter design achieved through use of the automated simulation framework improved significantly on previous attempts to reach a uniform inlet flow rate distribution using the standard catheter hole configuration as a baseline. While the standard ventricular catheter design featuring uniform inlet hole diameters and hole spacing has a standard deviation of 14.27% for the inlet flow rates, the optimized design has a standard deviation of 0.30%.CONCLUSIONSThis customizable framework, paired with high-performance computing, provides a rapid method of design testing to solve complex flow problems. While a relatively simplified ventricular catheter model was used to demonstrate the framework, the computational approach is applicable to any baseline catheter model, and it is easily adapted to optimize catheters for the unique needs of different patients as well as for other fluid-based medical devices.

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