Examples¶
Examples can be found in the examples/
directory on github.
Running StructOpt¶
StructOpt can be run on a single processor or in parallel using MPI. Depending on the cluster/environment you are using, you may need to load the following modules:
module load lammps-31Jan14
module load compile/intel
module load mpi/intel/openmpi-1.10.2
StructOpt can be run serially using the following command:
python $STRUCTOPT_HOME/structopt/optimizers/genetic.py structopt.in.json
In a parallel environment with N processors, StructOpt can be run with the following command:
mpirun -n N python $STRUCTOPT_HOME/structopt/optimizers/genetic.py structopt.in.json
The output will exist in the folder the command was run from.