Example #1
0
from __future__ import print_function, division

__author__ = 'setten'
__version__ = "0.1"
__maintainer__ = "Michiel van Setten"
__email__ = "*****@*****.**"
__date__ = "Sept 2014"


"""
Script to setup a set of benchmark calculations
"""


from PyBench.core.descriptions import get_description
from PyBench.core.data import get_data_set

if __name__ == "__main__":
    code = 'vasp'
#    desc = get_description(code=code)
#    desc.read_from_file()
    data_set = get_data_set(code=code, new=True)
    data_set.gather_data()
    data_set.set_parameter_lists()
    data_set.print_parameter_lists()
    data_set.insert_in_db()
Example #2
0
from __future__ import print_function, division

__author__ = 'setten'
__version__ = "0.1"
__maintainer__ = "Michiel van Setten"
__email__ = "*****@*****.**"
__date__ = "Sept 2014"
"""
Script to setup a set of benchmark calculations
"""

from PyBench.core.data import get_data_set

if __name__ == "__main__":
    code = 'vasp'
    data_set = get_data_set(code=code, new=False)
    data_set.get_from_db()
    data_set.set_parameter_lists()
    data_set.print_parameter_lists()
    data_set.plot_data()
    data_set.plot_data(mode='efficiency')
    data_set.plot_data(mode='abstiming')
    data_set.plot_data(mode='energies')
Example #3
0
from __future__ import print_function, division

__author__ = 'setten'
__version__ = "0.1"
__maintainer__ = "Michiel van Setten"
__email__ = "*****@*****.**"
__date__ = "Sept 2014"


"""
Script to setup a set of benchmark calculations
"""

from PyBench.core.data import get_data_set

if __name__ == "__main__":
    code = 'vasp'
    data_set = get_data_set(code=code, new=False)
    data_set.get_from_db()
    data_set.set_parameter_lists()
    data_set.print_parameter_lists()
    data_set.plot_data()
    data_set.plot_data(mode='efficiency')
    data_set.plot_data(mode='abstiming')
    data_set.plot_data(mode='energies')