CAEBAT

This page describes the structure and usage of CAEBAT, building instructions, how to run an example, and how it is related to NiCE.

• About CAEBAT
• Building CAEBAT
• Running a Simulation with CAEBAT
• CAEBAT as a Plugin for NiCE
  • Input Parameters

About CAEBAT

Computer-Aided Engineering for Electric Drive Vehicle Batteries (CAEBAT) is an open-architecture framework that integrates multi-physics and multi-scale battery models. After experimental validation, these simulations can be used for research, design, and manufacturing.

OASFramework

The OAS modeling framework integrates all the physics necessary for development of realistic and predictive battery performance and safety models. This framework uses a Python scripting language, and controls the battery state through component and state adapters.

The component adapters interact with the components by preparing the necessary inputs to run the components and by scheduling the component runs. The state adapters interact with the battery state file by updating all the necessary information about the battery state and the methods for coupling the components. The Battery state file is the core for passing data between components.

VIBE

This is the Virtual Integrated Battery Environment. The OAS framework, along with physics and support components and the adapters constitute the VIBE. The current components are electrochemistry, thermal, electrical, and cost model.

Other

The Data for CAEBAT is in a tar.gz file available upon request.

The Battery Markup Language (Battery ML) provides standardized format for the definition of all the necessary information.

The BatteryML Schema controls the structure of the output, and it uses a relational data model to stay flexible and avoid data duplication.

Building CAEBAT

OASFramework

To Create the OASFramework :

1) Create a directory CAEBAT and cd to that directory 
2) Check out the source code from the repository using following command

svn checkout http://svn.code.sf.net/p/ipsframework/code/trunk OASFramework

3) To build the library , use the following terminal commands:

• cd OASFramework
• mkdir build
• cd build
• ccmake ..
• • Press 'c' to configure the build, then 'e' to exit
• • Edit the key 'CMAKE_INSTALL_PREFIX' to enter the bin installation directory /PATH/TO/OASFramework/install)
• • Press 'c' to reconfigure the build
• • Enter 'g' to generate and exit from ccmake
• make
• make install

VIBE

1) Preinstall HDF5 and _32bit_ CGNS

For CGNS: in ccmake enable Fortran, HDF5 and tests. Also enable the tools if you wish to query the output.

If you want to perform optimization or parameter sweep, you need to also install DAKOTA (Design Analysis Kit for Optimization and Terascale Applications).

2) Untar the VIBE compressed file (tar xzvf VIBE.tar.gz) into the CAEBAT directory.

• cd VIBE/trunk/components/config/
• ln -sf makeconfig.gnu makeconfig.local
• cd ../ (go back to components directory)
• make
• • Configure the installation location to /usr/bin/install and remember not to end with a "/"
• make install (this will install everything in the bin directory under components)

**DATA **

1) Untar the DATA directory (tar xzvf CAEBAT-DATA.tar.gz) into the /CAEBAT directory.

Running a Simulation with CAEBAT

In order to run this, make a new directory in CAEBAT called RunExample. When going through these steps remember not to have "/" on the end, and that "Library" must be spelled correctly.

Create the following directories in RunExample:

• Data
• Results
• Physics

Move the following files into RunExample:

• Configuration files: "thermal_chartran_cell_twoway.conf" and "workstation.conf"

Move the following files into RunExample/Data/dualfoil/

• Data: "li-ion-ebar.in" and "dualfoil5.in"

Configure the "workstation.conf"

• Change PHYS_BIN_ROOT = /RunExample/Physics
• Change DATA_ROOT = /RunExample/Data

Next, Configure the "thermal_chartran_cell_twoway.conf"

• Change CAEBAT_ROOT = /CAEBAT/VIBE/trunk/components
• Change SIM_ROOT = /RunExample/Results

Next, do sourcing to use the cgns library, by using the following commands:

• vi ~/.bash_profile
• • Create a new Library by typing the following below your current library: LD_LIBRARY_PATH=/opt/cgns-3.1.3-i686_gcc-4.4.6/lib:$LD_LIBRARY_PATH
• Then you must restart the bash profile for this change to take effect by: . ~/.bash_profile
• Check that this library assignment worked by using: echo $LD_LIBRARY_PATH
• Every time the terminal is closed the ". ~/.bash_profile" must be run to reassign this library.

Now, to actually run the example use the following command while in /RunExample.

/CAEBAT/OASFramework/install/bin/ips.py --simulation=thermal_chartran_cell_twoway.conf --log=temp.log --platform=workstation.conf -a

In order to run it again, the /RunExample/Results/work directory must be emptied each time between runs.

CAEBAT as a Plugin for NiCE

We plan to integrate CAEBAT into NiCE as a plugin so we have a tool for simulating battery codes. NiCE will simply use its current tools to run CAEBAT the way that is mentioned above, behind the scenes.

Input Parameters

This is a list of all the values that the user may like to change.

In workstation.conf:

HOST = allu1, which is an arbitrary user set description of the host.

MPIRUN = eval, which is the only allowed value. "mpirun" is a shell script used to launch a job with mpi.

**Resource detection method**

NODE_DETECTION = manual

Description: This determines whether the user chooses the finer options in the manual allocation description section, or simply chooses a preset node detection option.

Allowed Values: checkjob | qstat | pbs_env | slurm_env [Default Value = manual]

**Manual allocation description**

TOTAL_PROCS = 2, NODES = 1, PROCS_PER_NODE = 2

Description: This only applies when NODE_DETECTION = manual, and allows the user to choose how they want to process on their nodes.

Allowed Values: These are shown with their default values, and can have all integer values up to the platform's capabilities.

**Node topology description**

CORES_PER_NODE = 2 and SOCKETS_PER_NODE = 1

Description: A node is a group of sockets, which are groups of cores that are single processing units capable of performing computations.

Allowed Values: These are shown with their default values, and can have all integer values up to the platform's capabilities.

**Framework for setting for node allocation**

NODE_ALLOCATION_MODE

Description: This must adhere to the platform's capabilities, and describes the number of processes per node.

Allowed Values:

• EXCLUSIVE: Allows only one task per node.
• SHARED: Allows multiple tasks to share a node. [Default Value]

In thermal_chartran_cell_twoway.conf:

   These will be shown with their default values, and allowed values are arbitrary strings unless otherwise stated.

RUN_ID = case1

Indentifier for this simulation run CoupledCellElectroChemThermalTransport.

SIM_NAME = ${RUN_ID}

Name of current simulation, the default value automatically finds the name.

PLASMA_STATE_WORK_DIR = $SIM_ROOT/work/battery_state

Where to put state files as the simulation evolves, allowed values will be any existing directory.

RUN_COMMENT = Coupled CAEBAT Module simulation

A run comment picked up by the portal.

TAG = ElectroChemThermal

A tag that enables related runs to be retrieved together.

USER = ul2

An optional parameter, if missing the unix username is used.

NUM_ZONES = 15 and NUM_CHARTRAN_ZONES = 15

These are the number of zones for ---?

SIMULATION_MODE = NORMAL

The Simulation mode setting, with the allowed values of ---?

LOG_LEVEL = WARNING

This changes what will appear in the log, with the allowed values of ERROR or WARNING.

LOG_FILE = $SIM_ROOT/${SIM_NAME}.log

This determines the name and location of the created log file, and the allowed values are any path to an existing directory followed by ".log".

The PORTS

NAMES = INIT DRIVER CHARTRAN THERMAL

The DRIVER is a required value in the port section.

IMPLEMENTATION = CHARTRAN_THERMAL_DRIVER

This tells how the simulation initialized, and will generate the first state if needed.

INIT is a required value in the port section.

For THERMAL,

IMPLEMENTATION = AMPERES.

For CHARTRAN,

IMPLEMENTATION = DUALFOIL.

These IMPLEMENTATIONs and DRIVERs are described below.

**Individual configuration sections**

Component specification, with entries similar for all components. NAME entry must match the name of the python class that implements the component. This section is where the user can fine tune the simulation to their liking. The user can determine which scripts to execute, the input and output files, and the classes to run for these main three types of simulations.

CHARTRAN_THERMAL_DRIVER

   CLASS = DRIVERS

This is a class from the initialized list in the PORTS section.

   SUB_CLASS = CHARTRAN_THERMAL

This is an implementation for the above CLASS?

   NAME = Driver

The name of the python class implementing the component.

   NPROC = 1

This is the number of processes that can run at once?

   BIN_PATH = $CAEBAT_ROOT/bin

This provides the location of the bin directory.

   INPUT_DIR = $DATA_ROOT/

This provides the location of the input files.

   INPUT_FILES =

This provides each required input file by giving their names.

   OUTPUT_FILES = $CURRENT_STATE

This writes the output files to a certain file...?

   SCRIPT = $BIN_PATH/thermal_chartran_driver_n.py

This tells which script to execute.

AMPERES

   CLASS = THERMAL


   SUB_CLASS =


   NAME = Amperes


   NPROC = 1


   ELECTRICAL = 0


   BIN_PATH = $CAEBAT_ROOT/bin


   INPUT_DIR = $DATA_ROOT/amperes_thermal


   INPUT_FILES = 'Battery-zones1.e'


   OUTPUT_FILES = $CURRENT_STATE


   SCRIPT = $BIN_PATH/amperes_thermal.py

DUALFOIL

   CLASS = CHARTRAN


   SUB_CLASS =


   NAME = DualFoil


   NPROC = 1


   BIN_PATH = $CAEBAT_ROOT/bin


   INPUT_DIR = $DATA_ROOT/dualfoil


   INPUT_FILES = 'dualfoil5.in' , 'li-ion-ebar.in'


   OUTPUT_FILES = 'df_caebat.out'


   SCRIPT = $BIN_PATH/dualfoil_chartran.py





**Time loop sepecification**

The two MODEs:

• REGULAR: The framework uses the variables START, FINISH, and NSTEP.
• EXPLICIT: The framework uses the variable VALUES (a space separated list of time values).

Below is shown the default values:

• MODE = REGULAR
• START = 0.0
• FINISH = 30.
• NSTEP = 1
• VALUES = 3.4 3.5 3.6 3.7

Overall structure of NiCE Plugin