Ejemplo n.º 1
0
def main():
    DifferenceCalculation = CalculationFactory('wait.wait')
    builder = DifferenceCalculation.get_builder()
    builder.code = Code.get_from_string('wait')
    builder.options = {'resources': {'num_machines': 1}, 'withmpi': False}

    node = submit(builder)
    print(node.pk)
Ejemplo n.º 2
0
 def inner(calculation_string, code_string, single_core=True):
     from aiida.orm import CalculationFactory
     process = CalculationFactory(calculation_string).process()
     builder = process.get_builder()
     inputs_setup(
         builder,
         code_string=code_string,
         single_core=single_core
     )
     return builder