Phonon Optimized Potentials

After ensuring the necessary inputs are available, you are ready to run the code.

The executable “ga” is run with

mpirun -np P pops R C

where P is the number of processes.

R is a random number seed.

C is a parameter that defines how individuals in the GA are parallelized over P processes. You can determine C by the equation C = (pop_size)(num_parameters)/P

where pop_size is defined in INPUT and num_parameters is the sum of tabulated_parameters and nontabulated_parameters in INPUT.