mmcgurn / tchemexample

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 

3. List Examples

  ls $TCHEM_DIR/example

4. 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   

3. Clone the example repo

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

4. 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

5. 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