Documentation for module tmc_worker

module contains the worker routine handling the communication and the calculation / creation of the configurations - WORKER these are all TMC cores, instead of master core and maybe some idle cores - divided in groups, in every group exists group master - there can be two kind of groups, one for exact energy calculation and one calculating configurational change using an approximate potential - Algorithm: - group master receive messages and decide what to do, - (if nessesary) broadcast of working task to all other group members (needed for parallel CP2K) - process task, calculations of energy or configurational change - result, exist on group master, sent to master core Communication structure (master->worker, worker->master): - message structure is defined in TMC message module

source: tmc_worker.F
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public Subroutines/Functions:

worker get tasks form master and fulfill them
get the pointer to the atoms, for easy handling
get the initial confuguration (pos,...)

SUBROUTINEdo_tmc_worker(tmc_env, ana_list)

worker get tasks form master and fulfill them

Arguments:
POINTER
:: tmc_env structure for storing all the tmc parameters
OPTIONAL, POINTER
:: ana_list(:) ...

SUBROUTINEget_atom_kinds_and_cell(env_id, atoms, cell)

get the pointer to the atoms, for easy handling

Arguments:
INTEGER
:: env_id ...
POINTER
:: atoms(:) pointer to atomic_kind
TYPE(cell_type),
POINTER
:: cell ...

SUBROUTINEget_initial_conf(tmc_params, init_conf, env_id)

get the initial confuguration (pos,...)

Arguments:
POINTER
:: tmc_params ...
TYPE(tree_type),
POINTER
:: init_conf the structure the data should be stored force_env
INTEGER
:: env_id ...