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README.md

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Using built in examples

  1. Ssh onto CCR

  2. Load the project modules module use /projects/academic/chrest/modules/

  3. Load the required modules

module purge; module load chrest/release 

or

module purge; module load chrest/debug
  1. List Examples
  ls $TCHEM_DIR/example
  1. Getting example for an example
  $TCHEM_DIR/example/TChem_IgnitionZeroD.x --help

Using custom code

  1. Ssh onto CCR

  2. Load the project modules module use /projects/academic/chrest/modules/

  3. Load the required modules

module purge; module load chrest/release 

or

module purge; module load chrest/debug

  1. Clone the example repo

    git clone https://github.com/mmcgurn/tchemExample.git

  2. Setup/build exe

    mkdir tchemExampleBuild
cd tchemExampleBuild

cmake -B . -S ../tchemExample -DTChem_DIR=$TCHEM_DIR/lib64/cmake/TChem -DTines_DIR=$TINES_DIR/lib64/cmake/Tines -DKokkos_DIR=$KOKKOS_DIR/lib64/cmake/Kokkos

make -j 8

  3. Running the example

    # Using grimech
./exe --inputs-path=$TCHEM_DIR/example/data/ignition-zero-d/gri3.0/ --use-prefix-path=true

# using custom yaml
./exe --useYaml=true --chemfile=../tchemExample/inputs/LL2KGB_AllRange.yaml --samplefile=../tchemExample/inputs/sample.dat