MPI Parallel Tempering¶
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class
mcpele.parallel_tempering.MPI_PT_RLhandshake(mcrunner, Tmax, Tmin, max_ptiter=10, pfreq=1, skip=0, print_status=True, base_directory=None, verbose=False, suppress_histogram=True)[source][source]¶ Bases:
mcpele.parallel_tempering._base_mpi_ptmc._MPI_Parallel_TemperingPerform Parallel Tempering by a right-left handshake
This class performs parallel tempering alternating swaps with right and left neighbours with geometrically distributed temperatures.
Parameters: mcrunner :
_BaseMCrunnerobject of
_BaseMCrunnerthat performs the MCMC walksTmax : double
maximum temperature to simulate (or equivalent control parameters)
Tmin : double
minimum temperature to simulate (or equivalent control parameters)
max_ptiter : int
maximum number of Parallel Tempering iterations
pfreq : int
frequency with which histogram and other information is dumped to a file
skip : int
number of parallel tempering iteration for which swaps should not be performed. Swaps should be avoided for instance while adjusting the step size
print_status : bool
choose whether to print MCrunner status at each iteration
base_directory : string
path to base directory where to save output
verbose : bool
print verbose output to terminal
suppress_histogram : bool
suppress histogram output
Attributes
exchange_dic (dictionary) assign -1 to left and 1 to right exchange_choice (int) current swap choice (alternating) initialised randomlly to be 1 or -1 anyswap (bool) set to True is any of the attempted swaps have been succesfull permutation_pattern (numpy.array) record pattern of exchanges, used to print the exchange permutations suppress_histgoram (bool) suppress the output of the histogram