Run Applications

pyalps.writeParameterFile(fname, parms)source

• This function writes a text input file for simple ALPS applications like DMFT

• The arguments are:

  • filename: the name of the parameter file to be written
  • parms: the parameter dict

pyalps.writeInputFiles(fname, parms, baseseed=None)source

• This function writes the XML input files for ALPS

• Parameters are:

  • fname: the base file name of the XML files that will be written
  • parms: a list of dicts containing the simulation parameters
  • baseseed: optional parameter giving a random number seed from which seeds for the individual simulations will be calculated. The default value is taken from the current time.

• The function returns the name of the main XML input file

pyalps.runApplication(appname, parmfiles, T=None, Tmin=None, Tmax=None, writexml=False, MPI=None, mpirun='mpirun')source run an ALPS application

• This function runs an ALPS application.

• The parameers are:

  • appname: the name of the application parmfile: the name of the main XML input file writexml: optional parameter, to be set to True if all results should be written to the XML files in addition to the HDF5 files
  • T: time limit of MC simulation
  • Tmin: optional parameter specifying the minimum time between checks whether a MC simulatio is finished
  • Tmax: optional parameter specifying the maximum time between checks whether a MC simulatio is finished
  • MPI: optional parameter specifying the number of processes to be used in an MPI simulation. MPI is not used if this parameter is left at ots default value None.
  • mpirun: optional parameter giving the name of the executable used to laucnh MPI applications. The default is ‘mpirun’

pyalps.runDMFT(infiles, apppath='')source run the ALPS DMFT application

• The ALPS DMFT application does not (yet) use the standard ALPS input files and scheduler. Thus there is a separate function to call it. This function takes one mandatory parameter: a single input file or a list of input files. Optional parameter apppath allows setting the path to the binary.

pyalps.evaluateLoop(infiles, appname='loop', write_xml=False)source evaluate results of the looper QMC application

• this function calls the evaluate tool of the looper application. Additionally evaluated results are written back into the files. Besides a list of result files it takes one optional argument:

  • write_xml: if this optional argument is set to True, the results will also bw written to the XML files

pyalps.evaluateSpinMC(infiles, appname='spinmc_evaluate', write_xml=False)source evaluate results of the spinmc application

• this function calls the evaluate tool of the spinmc application. Additionally evaluated results are written back into the files. Besides a list of result files it takes one optional argument:

  • write_xml: if this optional argument is set to True, the results will also bw written to the XML files

pyalps.evaluateQWL(infiles, appname='qwl_evaluate', DELTA_T=None, T_MIN=None, T_MAX=None)source evaluate results of the quantum Wang-Landau application

• this function calls the evaluate tool of the quantum Wang-Landau application. Besides a list of result files it takes the following arguments:

  • T_MIN: the lower end of the temperature range for which quantities are evaluated
  • T_MAX: the upper end of the temperature range for which quantities are evaluated
  • DELTA_T: the temperature steps to be used between T_MIN and T_MAX

• This function returns a list of lists of DataSet objects, for the various properties evaluated for each of the input files.

pyalps.evaluateFulldiagVersusT(infiles, appname='fulldiag_evaluate', DELTA_T=None, T_MIN=None, T_MAX=None, H=None)source evaluate results of the fulldiag application as a function of temperature

• this function calls the evaluate tool of the fulldiag application and evaluates several quantities as a function of temperature. Besides a list of result files it takes the following arguments:

  • T_MIN: the lower end of the temperature range for which quantities are evaluated
  • T_MAX: the upper end of the temperature range for which quantities are evaluated
  • DELTA_T: the temperature steps to be used between T_MIN and T_MAX
  • H: (optional) the magnetic field at which all data should be evaluated

• This function returns a list of lists of DataSet objects, for the various properties evaluated for each of the input files.

pyalps.evaluateFulldiagVersusH(infiles, appname='fulldiag_evaluate', DELTA_H=None, H_MIN=None, H_MAX=None, T=None)source evaluate results of the fulldiag application as a function of magnetic field h

• this function calls the evaluate tool of the fulldiag application and evaluates several quantities as a function of magnetic field. Besides a list of result files it takes the following arguments:

  • H_MIN: the lower end of the field range for which quantities are evaluated
  • H_MAX: the upper end of the temperature range for which quantities are evaluated
  • DELTA_H: the field steps to be used between H_MIN and H_MAX
  • T: the temperature field at which all data should be evaluated

• This function returns a list of lists of DataSet objects, for the various properties evaluated for each of the input files.