This is simply the case of calling VASP with a structure as input:
>>> vasp(structure, outdir='mycalc')
This will execute VASP with the current parameters, in the mycalc directory, as an mpi process defined by mpirun_exe and pylada.default_comm. The directory can be given using the usual unix short-cuts and/or shell environment variables.
To specify how the mpi process should go, add a dictionary called comm:
>>> vasp(structure, outdir='~/$WORKDIR/mycalc', comm={'n': 8, 'ppn': 2})
Exactly what this dictionary should contain depends on the specific supercomputer. The call is formatted by the user-defined mpirun_exe. If the comm argument is not provided, it defaults to None and a serial calculation is performed.
Finally, vasp parameters can be modified on a one-off basis:
>>> vasp(structure, outdir='~/mycalc', ispin=1)
Note
Pylada will not overwrite a successfull calculation (unless specifically requested to do so with overwrite=True in the call), not even one performed without the use of Pylada.