logging options

The logging table contains options relating to outputting additional logs from QMC calculations.

Use of this functionality requires compiling HANDE with debug flags (using the -g option with mkconfig). This enables implementation of logging without having an appreciable impact upon timings of an optimised build.

This functionality is recommended for developers only. It should allow easy identification of the causes of any changes in Markov chain between two calculations.

Additional logging functionality can be added upon request. Current coverage is by no means complete.

Note

This functionality cannot be used with OpenMP parallelisation.

calc

type: integer

Optional. Default: 0.

Determines level of logging output related to high-level behaviour within a calculation. Currently implemented levels are:

  • 0 returns no extra information.

  • 1 returns summary of events within a calculation (currently only for FCIQMC and CCMC).

Any information is produced in files CALC.Y.pX.log within the working directory, where Y is the same for all files produced in the same calculation and is set to the lowest value not present, and X is the process number.

spawn

type: integer

Optional. Default: 0.

Determines level of logging output related to spawning within a calculation. Current levels are:

  • 0 returns no extra information.

  • 1 returns information on each spawning event creating at least one particle within a

    calculation (currently only for FCIQMC and generic systems).

  • 2 returns information on each spawning event within a calculation, regardless of result

    (currently only for FCIQMC on generic systems and CCMC).

Any information is produced in files SPAWN.Y.pX.log within the working directory, where Y is the same for all files produced in the same calculation and is set to the lowest value not present, and X is the process number.

death

type: integer

Optional. Default: 0.

Determines level of logging output related to death within a calculation. Current levels are:

  • 0 returns no extra information.

  • 1 returns information on each death or cloning event resulting in a change in particle number

    within a calculation (currently only for FCIQMC and generic systems).

  • 2 returns information on each death or cloning event within a calculation, regardless of result

    (currently only for FCIQMC on generic systems and CCMC).

Any information is produced in files DEATH.Y.pX.log within the working directory, where Y is the same for all files produced in the same calculation and is set to the lowest value not present, and X is the process number.

stoch_selection

type: integer

Optional. Default: 0.

Determines level of logging output related to stochastic cluster selection within a ccmc calculation. Current levels are:

  • 0 returns no extra information.

  • 1 returns information on each stochastic selection attempt within a calculation resulting in a

    valid cluster (only for CCMC).

  • 2 returns information on each stochastic selection attempt within a calculation, regardless of

    validity of resulting cluster (only for CCMC).

Any information is produced in files STOCH_SELECTION.Y.pX.log within the working directory, where Y is the same for all files produced in the same calculation and is set to the lowest value not present, and X is the process number.

start

type: integer

Optional. Default: 0.

Defines the iteration from which logging information should be produced.

finish

type: integer

Optional. Default: \(2^{31}-1\).

Defines the iteration after which logging information should cease to be produced.