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2_Usage_1_Introduction&Installation

The document provides a comprehensive guide on the usage of the ParScale library for multiphase flow processes, detailing its content, installation, and coupling with LIGGGHTS and CFDEM. It includes instructions for setting up the environment, compiling the software, and running simulations, emphasizing the importance of following specific steps to avoid errors. Additionally, it contains legal disclaimers regarding the use of LIGGGHTS and CFDEM trademarks.

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chengzhe du
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© © All Rights Reserved
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2 views

2_Usage_1_Introduction&Installation

The document provides a comprehensive guide on the usage of the ParScale library for multiphase flow processes, detailing its content, installation, and coupling with LIGGGHTS and CFDEM. It includes instructions for setting up the environment, compiling the software, and running simulations, emphasizing the importance of following specific steps to avoid errors. Additionally, it contains legal disclaimers regarding the use of LIGGGHTS and CFDEM trademarks.

Uploaded by

chengzhe du
Copyright
© © All Rights Reserved
Available Formats
Download as PDF, TXT or read online on Scribd
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Pharmaceutical Design of Multiphase

Multiphase Reactors Flow Processes


CHE.782 669.266
Usage of the
„ParScale“ Library
A - Content Parcale
B - Installation and Coupling
C - Running Simulations
A part of this teaching material has been prepared
Ass.Prof. Dr. Stefan Radl,
for NanoSim (http://sintef.no/NanoSim/)
M. Sc. Thomas Forgber
Email: [email protected]
Institute of Process and
Particle Engineering
Inffeldgasse 13/III
TU Graz
ParScale, 2_Usage_1_Introduction&Installation, 2015-12-16, version 0.1
A - Content Parcale

1
What is part of ParScale?

Documentation Examples Sourcecode Third Party

• doc/ - folder • examples/- folder • src/ - folder • thirdParty/ holds


• *.md files for all • octaveFuntions/ • All source classes third party libraries
implemented holds functions • Routines for ParScale depend
features used for building ParScale on
• doc/pdf/ - folder caluclation and (MAKE/ ) • chemkinReader/
holds theoretical post-processing • INSTALL.md holds for interface to
documentation of • verificationCases/ all information for chemkin-II files
equations holds verifcation compiling ParScale • sundials-2.5.0/ for
implemented studies including • Class structure can integrator class
analytical solution be seen using the
• testCases/ holds doxygen_config file
non- verified test
cases

1 Download from: https://github.com/CFDEMproject/PARSCALE-PUBLIC.git


B – Installation and Coupling – Before you start

Before you start…


…go through the README.md!
https://github.com/CFDEMproject/ParScale-PUBLIC/blob/master/README.md
B – Installation and Coupling – Before you start

Basic Requirements for:

(1) Stand – alone • Linux environment or Linux access from Windows


computer (via Xming, putty, filezilla)
• gedit (file editting), git, Boost library, HDF 5.x, Qt
4.3x, Octave with JsonLab, (Markddown viewer)
• Access to Public ParScale git repository

(2) Coupling LIGGGHTS • LIGGGHTS requirement/ Compliable


• Built as static library
• ParScale compiled as library

(3) Coupling LIGGGHTS, • CFDEM requirements


CFDEM • OpenFOAM installed
• CFDEM compliable
B – Installation and Coupling – ParScale stand-alone

(1) Download, compile and test Stand-alone

• Get your copy of ParScale using e.g.


„git clone https://github.com/CFDEMproject/PARSCALE-PUBLIC.git“
• Carefully read through src/INSTALL.md
• Make sure you have all additional libraries installed
• Make sure all environment variables are set correctly in you .bashrc
• Go to src/ and run „./refresh“ to compile the stand alone version

• Take action in case of any errors (e.g. use the forum on www.cfdem.com)
• Check by running all verification and test cases:
o Go to examples/verficationCases/ and run „./Allrun_convective“ every
sub folder
o Go to examples/testCases/ and run „./Allrun_convective“ in every sub
folder
• Only continue if no error occurs
B – Installation and Coupling - ParScale – LIGGGHTS Coupling

(2) Download, compile and test LIGGGHTS- coupling

• Go to ParScale/src and run „./refreshLibrary“ to compile ParScale as a


library (see src/INSTALL.md for detailed information)

• Go to LIGGHTS/src and run „make yes-PASCAL". This will install the fix that
couples LIGGGHTS with ParScale. You can now continue to compile
LIGGGHTS (see the LIGGGHTS manual)

• Take action in case of any errors (e.g. use the forum on www.cfdem.com)

• Only continue if no error occurs

• Test your compilation by running the test case in „LIGGGHTS-


PUBLIC/examples/LIGGGHTS/Tutorials_public/ParScale/heatTransferBed_p
aScal“

• In case you make changes to the ParScale fixes in LIGGGHTS/src, please be


sure you copy back the files to the LIGGGHTS/src/PASCAL folder
B – Installation and Coupling - ParScale – LIGGGHTS –
CFDEM Coupling

(3) Download, compile and test ParScale – CFDEM – LIGGGHTS coupling

• Make sure you have compiled the latest version of LIGGGHTS with coupling
to ParScale

• Add additional libraries in „src/lagrangian/cfdemParticle/etc/addiationalLibs“

• For example file see „/addiationalLibs.C3POParScale“

• Compile CFDEM by typing „cfdemCompCFDEMall“

• Check by running test case in „tutorials/cfdemSolverPimpleImEx/


fluidizedBedTempParScale/“
C - Running Simulations - General

• All input/output is in the form of text files

• The main input script contains one command per line. It is similar to a
Matlab input script, however, each command is NOT executed immediately.

• During a simulations, users CANNOT directly interact with a ParScale


simulation.

initial conditions
holds auto-
postprocessing
routines
Most commands
read a „settings“
file in JSON format
scripts to auto-
start and clean

main input script


C - Running Simulations - General

• Problem definition (physical background, possible with


Pre-Process
ParScale/Coupling with LIGGGHTS?)
• Choosing models, identify relevant phenomena, parameters
• Coupling necessary?

• Define boundary conditions


Input
• Identify time scales, relevant output
• Mesh resolution
• Initial conditions

• make sure convergence is reached


Run
• checking data before running big simulation

Post-Process • Post-process relevant data


• use routines/interfaces provided in verification/test cases
Impressum & Disclaimer

©2015 by Stefan Radl, and other members of the


„Simulation Science“ Group at the Institute of Process
and Particle Engineering, Graz University of Technology.
All rights reserved. No part of the material protected by this
copyright notice may be reproduced or utilized in any form or
by any means, electronically or mechanically, including
photocopying, recording or by any information storage and
retrieval system without written permission from the author.

LIGGGHTS® is a registered trade mark of DCS Computing


GmbH, the producer of the LIGGGHTS® software. CFDEM®
is a registered trade mark of DCS Computing GmbH, the
producer of the CFDEM®coupling software. This offering is not
approved or endorsed by DCS Computing GmbH, the
producer of the LIGGGHTS® and CFDEM® coupling software
and owner of the LIGGGHTS and CFDEM® trade marks.

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