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mod_global_warning

Lines: 203 | Visibility: private

This module provides an implementation of AbstractWarningHandler
for the book keeping of global warnings

Authors: Gunnar Schmitz and Redouan El Haouari

Dependencies

Uses

module~~mod_global_warning~~UsesGraph module~mod_global_warning mod_global_warning module~mod_abstract_warning mod_abstract_warning module~mod_global_warning->module~mod_abstract_warning module~mod_io mod_io module~mod_global_warning->module~mod_io module~mod_throw mod_throw module~mod_global_warning->module~mod_throw iso_fortran_env iso_fortran_env module~mod_io->iso_fortran_env module~mod_optional_args mod_optional_args module~mod_io->module~mod_optional_args module~mod_precision mod_precision module~mod_io->module~mod_precision module~mod_throw->module~mod_io iso_c_binding iso_c_binding module~mod_throw->iso_c_binding module~mod_throw->iso_fortran_env module~mod_mpi mod_mpi module~mod_throw->module~mod_mpi module~mod_throw->module~mod_precision module~mod_sort mod_sort module~mod_throw->module~mod_sort module~mod_mpi->module~mod_precision mpi_f08 mpi_f08 module~mod_mpi->mpi_f08 module~mod_precision->iso_c_binding module~mod_precision->iso_fortran_env module~mod_sort->module~mod_precision

Used By

module~~mod_global_warning~~UsedByGraph module~mod_global_warning mod_global_warning module~mod_abstractoptimizer mod_abstractoptimizer module~mod_abstractoptimizer->module~mod_global_warning module~mod_dense_layer mod_dense_layer module~mod_dense_layer->module~mod_global_warning module~mod_dense_layer_with_single_activations mod_dense_layer_with_single_activations module~mod_dense_layer_with_single_activations->module~mod_global_warning module~mod_dense_layer_with_single_activations->module~mod_dense_layer module~mod_enforce_reading mod_enforce_reading module~mod_enforce_reading->module~mod_global_warning module~mod_hdnn mod_hdnn module~mod_hdnn->module~mod_global_warning module~mod_neural_network mod_neural_network module~mod_hdnn->module~mod_neural_network module~mod_input_layer_with_activations mod_input_layer_with_activations module~mod_input_layer_with_activations->module~mod_global_warning module~mod_signal_handler mod_signal_handler module~mod_signal_handler->module~mod_global_warning module~mod_write_headers mod_write_headers module~mod_signal_handler->module~mod_write_headers module~mod_train_helpers mod_train_helpers module~mod_train_helpers->module~mod_global_warning module~mod_train_helpers->module~mod_abstractoptimizer module~smod_initialize_from_file smod_initialize_from_file module~smod_initialize_from_file->module~mod_global_warning module~smod_validate_settings smod_validate_settings module~smod_validate_settings->module~mod_global_warning program~runner RuNNer program~runner->module~mod_global_warning program~runner->module~mod_abstractoptimizer program~runner->module~mod_signal_handler module~mod_calculate_coulomb_matrix mod_calculate_coulomb_matrix program~runner->module~mod_calculate_coulomb_matrix module~mod_initialize mod_initialize program~runner->module~mod_initialize module~mod_precompute_features_all_chunks mod_precompute_features_all_chunks program~runner->module~mod_precompute_features_all_chunks module~mod_precompute_global_features_all_chunks mod_precompute_global_features_all_chunks program~runner->module~mod_precompute_global_features_all_chunks module~mod_predict_mode mod_predict_mode program~runner->module~mod_predict_mode module~mod_train_mode mod_train_mode program~runner->module~mod_train_mode program~runner->module~mod_write_headers module~mod_abstract_kalman_filter mod_abstract_kalman_filter module~mod_abstract_kalman_filter->module~mod_abstractoptimizer module~mod_adam mod_adam module~mod_adam->module~mod_abstractoptimizer module~mod_learning_rate mod_learning_rate module~mod_adam->module~mod_learning_rate module~mod_calculate_coulomb_matrix->module~mod_signal_handler module~mod_dataset_statistics_chi_all_chunks mod_dataset_statistics_chi_all_chunks module~mod_dataset_statistics_chi_all_chunks->module~mod_signal_handler module~mod_feature_map_scaling_all_chunks mod_feature_map_scaling_all_chunks module~mod_feature_map_scaling_all_chunks->module~mod_signal_handler module~mod_gradient_descent mod_gradient_descent module~mod_gradient_descent->module~mod_abstractoptimizer module~mod_gradient_descent->module~mod_learning_rate module~mod_initialize->module~mod_abstractoptimizer module~mod_initialize->module~mod_hdnn module~mod_optimizers mod_optimizers module~mod_initialize->module~mod_optimizers module~mod_initialize->module~mod_write_headers module~mod_kalman_filter mod_kalman_filter module~mod_kalman_filter->module~mod_abstractoptimizer module~mod_kalman_filter->module~mod_abstract_kalman_filter module~mod_kalman_filter_std mod_kalman_filter_std module~mod_kalman_filter_std->module~mod_abstractoptimizer module~mod_kalman_filter_std->module~mod_abstract_kalman_filter module~mod_layers mod_layers module~mod_layers->module~mod_dense_layer module~mod_layers->module~mod_dense_layer_with_single_activations module~mod_layers->module~mod_input_layer_with_activations module~mod_learning_rate->module~mod_abstractoptimizer module~mod_nada_opt mod_nada_opt module~mod_nada_opt->module~mod_abstractoptimizer module~mod_nada_opt->module~mod_learning_rate module~mod_optimizers->module~mod_abstractoptimizer module~mod_optimizers->module~mod_adam module~mod_optimizers->module~mod_gradient_descent module~mod_optimizers->module~mod_kalman_filter module~mod_optimizers->module~mod_kalman_filter_std module~mod_optimizers->module~mod_nada_opt module~mod_stochastic_gradient_descent mod_stochastic_gradient_descent module~mod_optimizers->module~mod_stochastic_gradient_descent module~mod_precompute_features_all_chunks->module~mod_signal_handler module~mod_precompute_global_features_all_chunks->module~mod_signal_handler module~mod_predict_all_chunks mod_predict_all_chunks module~mod_predict_all_chunks->module~mod_signal_handler module~mod_predict_mode->module~mod_enforce_reading module~mod_predict_mode->module~mod_signal_handler module~mod_predict_mode->module~mod_initialize module~mod_write_outfiles mod_write_outfiles module~mod_predict_mode->module~mod_write_outfiles module~mod_runner_interface_bindings mod_runner_interface_bindings module~mod_runner_interface_bindings->module~mod_enforce_reading module~mod_runner_interface_bindings->module~mod_initialize module~mod_stochastic_gradient_descent->module~mod_abstractoptimizer module~mod_stochastic_gradient_descent->module~mod_learning_rate module~mod_train_4g_atomic_charges_structure_batch mod_train_4g_atomic_charges_structure_batch module~mod_train_4g_atomic_charges_structure_batch->module~mod_abstractoptimizer module~mod_train_4g_atomic_charges_structure_batch->module~mod_train_helpers module~mod_train_atomic_property_multiple_atoms mod_train_atomic_property_multiple_atoms module~mod_train_atomic_property_multiple_atoms->module~mod_abstractoptimizer module~mod_train_atomic_property_multiple_atoms->module~mod_train_helpers module~mod_train_energy_multiple_structures mod_train_energy_multiple_structures module~mod_train_energy_multiple_structures->module~mod_abstractoptimizer module~mod_train_energy_multiple_structures->module~mod_train_helpers module~mod_train_energy_multiple_structures->module~mod_initialize module~mod_train_forces_multiple_structures mod_train_forces_multiple_structures module~mod_train_forces_multiple_structures->module~mod_abstractoptimizer module~mod_train_forces_multiple_structures->module~mod_train_helpers module~mod_train_forces_multiple_structures->module~mod_initialize module~mod_train_forces_multiple_structures->module~mod_train_energy_multiple_structures module~mod_train_loop_4g_charges mod_train_loop_4g_charges module~mod_train_loop_4g_charges->module~mod_abstractoptimizer module~mod_train_loop_4g_charges->module~mod_signal_handler module~mod_train_loop_4g_charges->module~mod_train_helpers module~mod_train_loop_4g_charges->module~mod_initialize module~mod_train_loop_4g_charges->module~mod_train_4g_atomic_charges_structure_batch module~mod_cost_calculator mod_cost_calculator module~mod_train_loop_4g_charges->module~mod_cost_calculator module~mod_output_files_and_cost_4g_charges mod_output_files_and_cost_4g_charges module~mod_train_loop_4g_charges->module~mod_output_files_and_cost_4g_charges module~mod_train_loop_atomic_property mod_train_loop_atomic_property module~mod_train_loop_atomic_property->module~mod_abstractoptimizer module~mod_train_loop_atomic_property->module~mod_signal_handler module~mod_train_loop_atomic_property->module~mod_train_helpers module~mod_train_loop_atomic_property->module~mod_initialize module~mod_train_loop_atomic_property->module~mod_train_atomic_property_multiple_atoms module~mod_train_loop_atomic_property->module~mod_cost_calculator module~mod_output_files_and_cost mod_output_files_and_cost module~mod_train_loop_atomic_property->module~mod_output_files_and_cost module~mod_train_loop_short_range mod_train_loop_short_range module~mod_train_loop_short_range->module~mod_abstractoptimizer module~mod_train_loop_short_range->module~mod_signal_handler module~mod_train_loop_short_range->module~mod_train_helpers module~mod_train_loop_short_range->module~mod_initialize module~mod_train_loop_short_range->module~mod_train_energy_multiple_structures module~mod_train_loop_short_range->module~mod_train_forces_multiple_structures module~mod_train_loop_short_range->module~mod_cost_calculator module~mod_train_loop_short_range->module~mod_output_files_and_cost module~mod_output_files_and_cost_4g_short_range mod_output_files_and_cost_4g_short_range module~mod_train_loop_short_range->module~mod_output_files_and_cost_4g_short_range module~mod_train_mode->module~mod_abstractoptimizer module~mod_train_mode->module~mod_dataset_statistics_chi_all_chunks module~mod_train_mode->module~mod_feature_map_scaling_all_chunks module~mod_train_mode->module~mod_initialize module~mod_train_mode->module~mod_predict_all_chunks module~mod_train_mode->module~mod_train_loop_4g_charges module~mod_train_mode->module~mod_train_loop_atomic_property module~mod_train_mode->module~mod_train_loop_short_range module~mod_write_outfiles_training mod_write_outfiles_training module~mod_train_mode->module~mod_write_outfiles_training module~mod_write_headers->module~mod_abstractoptimizer module~mod_lammps_interface mod_lammps_interface module~mod_lammps_interface->module~mod_runner_interface_bindings module~mod_neural_network->module~mod_layers module~mod_write_outfiles->module~mod_initialize module~mod_write_outfiles_training->module~mod_write_outfiles module~mod_cost_calculator->module~mod_write_outfiles_training module~mod_output_files_and_cost->module~mod_cost_calculator module~mod_output_files_and_cost_4g_charges->module~mod_cost_calculator module~mod_output_files_and_cost_4g_short_range->module~mod_cost_calculator

Module Variables

  • MXLEN : integer– Max length for `idname`
  • global_warnings : type(GlobalWarningHandler)– Initialized `GlobalWarningHandler`

Derived Types Summary

Name Description
GlobalWarning Container for indexed warnings
GlobalWarningHandler Handler for GlobalWarnings

Procedures Summary

Name Type Description
add_warning Subroutine Adds an GlobalWarning to self if another GlobalWarning with the same idname is not owned...
merge_warning Subroutine Merges another GlobalWarninHandler instance into self.
reset_warning Subroutine Resets the counter of a GlobalWarning owned by self to 0.
report_warning Subroutine Prints all GlobalWarnings currently owned by self to STDOUT in a concise table format.
print_warning_line Subroutine Prints a single warning line consisting of a fixed-width prefix followed by message,...
free_warnings Subroutine

Derived Types Details

type GlobalWarning

Container for indexed warnings

Components

  • idname : character– Name ID
  • lenidname : integer– Length of the name ID
  • message : character– Warning message
  • counter : integer– Number of times this warning appeared
  • handle : type(GlobalWarning)– Handle to next element in linked list

Inherited By

type~~globalwarning~~InheritedByGraph type~globalwarning GlobalWarning type~globalwarning->type~globalwarning handle type~globalwarninghandler GlobalWarningHandler type~globalwarninghandler->type~globalwarning head, tail

type GlobalWarningHandler

Handler for GlobalWarnings

Components

Type-Bound Procedures

Name Attributes Binding
free_memory public ⇒ free_memory
add public ⇒ add_warning
report public ⇒ report_warning
reset public ⇒ reset_warning
merge public ⇒ merge_warning
free_memory_child public ⇒ free_warnings

Inherits

type~~globalwarninghandler~~InheritsGraph type~globalwarninghandler GlobalWarningHandler type~abstractwarninghandler AbstractWarningHandler type~globalwarninghandler->type~abstractwarninghandler type~globalwarning GlobalWarning type~globalwarninghandler->type~globalwarning head, tail type~globalwarning->type~globalwarning handle

Procedure Details

subroutine add_warning

subroutine add_warning( &
    self, &
    identifier, &
    message, &
    print_immediately &
)

Adds an GlobalWarning to self if another GlobalWarning with the same idname is not owned by by self. If already owned, the counter of GlobalWarning with the same idname is increased by 1 (OMP thread-safe).

Arguments

  • self : class(GlobalWarningHandler) [inout]
  • identifier : character [in]– `idname` of the warning to be added.
  • message : character [in]– Message of the warning to be added.
  • print_immediately : logical [in]– Should the warning be printed immediately

Called By

proc~~add_warning~~CalledByGraph proc~add_warning mod_global_warning::GlobalWarningHandler%add_warning proc~enforce_reading_global_feature_calculator mod_enforce_reading::enforce_reading_global_feature_calculator proc~enforce_reading_global_feature_calculator->proc~add_warning proc~enforce_reading_scaling_data mod_enforce_reading::enforce_reading_scaling_data proc~enforce_reading_scaling_data->proc~add_warning proc~enforce_reading_weights mod_enforce_reading::enforce_reading_weights proc~enforce_reading_weights->proc~add_warning proc~forward_denselayer_omp_parallel mod_dense_layer::forward_denselayer_omp_parallel proc~forward_denselayer_omp_parallel->proc~add_warning proc~forward_denselayer_serial mod_dense_layer::forward_denselayer_serial proc~forward_denselayer_serial->proc~add_warning proc~forward_denselayer_with_single_act mod_dense_layer_with_single_activations::DenseLayerWithSingleActivations%forward_denselayer_with_single_act proc~forward_denselayer_with_single_act->proc~add_warning proc~forward_inputlayer_act mod_input_layer_with_activations::InputLayerWithActivations%forward_inputlayer_act proc~forward_inputlayer_act->proc~add_warning proc~initialize_from_file smod_initialize_from_file::initialize_from_file proc~initialize_from_file->proc~add_warning proc~initialize_from_file_hdnn mod_hdnn::HDNN%initialize_from_file_hdnn proc~initialize_from_file_hdnn->proc~add_warning proc~parameter_weight_decay mod_abstractoptimizer::AbstractOptimizer%parameter_weight_decay proc~parameter_weight_decay->proc~add_warning proc~validate smod_validate_settings::validate proc~validate->proc~add_warning proc~warn_threshold mod_train_helpers::warn_threshold proc~warn_threshold->proc~add_warning proc~adjust_loss_threshold_factor mod_train_helpers::adjust_loss_threshold_factor proc~adjust_loss_threshold_factor->proc~warn_threshold proc~enforce_reading_weights_and_fm_scaling_data_1d mod_enforce_reading::enforce_reading_weights_and_fm_scaling_data_1d proc~enforce_reading_weights_and_fm_scaling_data_1d->proc~enforce_reading_global_feature_calculator proc~enforce_reading_weights_and_fm_scaling_data_1d->proc~enforce_reading_scaling_data proc~enforce_reading_weights_and_fm_scaling_data_1d->proc~enforce_reading_weights proc~enforce_reading_weights_and_fm_scaling_data_2d mod_enforce_reading::enforce_reading_weights_and_fm_scaling_data_2d proc~enforce_reading_weights_and_fm_scaling_data_2d->proc~enforce_reading_global_feature_calculator proc~enforce_reading_weights_and_fm_scaling_data_2d->proc~enforce_reading_scaling_data proc~enforce_reading_weights_and_fm_scaling_data_2d->proc~enforce_reading_weights proc~forward_gradient_denselayer_with_single_act mod_dense_layer_with_single_activations::DenseLayerWithSingleActivations%forward_gradient_denselayer_with_single_act proc~forward_gradient_denselayer_with_single_act->proc~forward_denselayer_with_single_act proc~predict_mode mod_predict_mode::predict_mode proc~predict_mode->proc~enforce_reading_global_feature_calculator interface~enforce_reading_weights_and_fm_scaling_data mod_enforce_reading::enforce_reading_weights_and_fm_scaling_data proc~predict_mode->interface~enforce_reading_weights_and_fm_scaling_data proc~weight_decay mod_abstractoptimizer::AbstractOptimizer%weight_decay proc~weight_decay->proc~parameter_weight_decay interface~enforce_reading_weights_and_fm_scaling_data->proc~enforce_reading_weights_and_fm_scaling_data_1d interface~enforce_reading_weights_and_fm_scaling_data->proc~enforce_reading_weights_and_fm_scaling_data_2d proc~step_abstractoptimizer_mpi mod_abstractoptimizer::AbstractOptimizer%step_abstractoptimizer_mpi proc~step_abstractoptimizer_mpi->proc~weight_decay proc~train_loop_4g_charges mod_train_loop_4g_charges::train_loop_4g_charges proc~train_loop_4g_charges->proc~adjust_loss_threshold_factor proc~train_4g_atomic_charges_structure_batch mod_train_4g_atomic_charges_structure_batch::train_4g_atomic_charges_structure_batch proc~train_loop_4g_charges->proc~train_4g_atomic_charges_structure_batch proc~train_loop_atomic_property mod_train_loop_atomic_property::train_loop_atomic_property proc~train_loop_atomic_property->proc~adjust_loss_threshold_factor proc~train_atomic_property_multiple_atoms mod_train_atomic_property_multiple_atoms::train_atomic_property_multiple_atoms proc~train_loop_atomic_property->proc~train_atomic_property_multiple_atoms proc~train_loop_short_range mod_train_loop_short_range::train_loop_short_range proc~train_loop_short_range->proc~adjust_loss_threshold_factor proc~train_energy_multiple_structures mod_train_energy_multiple_structures::train_energy_multiple_structures proc~train_loop_short_range->proc~train_energy_multiple_structures proc~train_forces_multiple_structures mod_train_forces_multiple_structures::train_forces_multiple_structures proc~train_loop_short_range->proc~train_forces_multiple_structures program~runner RuNNer program~runner->proc~predict_mode proc~train_mode mod_train_mode::train_mode program~runner->proc~train_mode proc~runner_interface_init mod_runner_interface_bindings::runner_interface_init proc~runner_interface_init->interface~enforce_reading_weights_and_fm_scaling_data proc~train_mode->proc~train_loop_4g_charges proc~train_mode->proc~train_loop_atomic_property proc~train_mode->proc~train_loop_short_range proc~update_optimizers_multiple_models mod_train_helpers::update_optimizers_multiple_models proc~update_optimizers_multiple_models->proc~step_abstractoptimizer_mpi proc~update_optimizers_single_model mod_train_helpers::update_optimizers_single_model proc~update_optimizers_single_model->proc~step_abstractoptimizer_mpi interface~update_optimizers mod_train_helpers::update_optimizers interface~update_optimizers->proc~update_optimizers_multiple_models interface~update_optimizers->proc~update_optimizers_single_model proc~runner_lammps_interface_init mod_lammps_interface::runner_lammps_interface_init proc~runner_lammps_interface_init->proc~runner_interface_init proc~train_4g_atomic_charges_structure_batch->interface~update_optimizers proc~train_atomic_property_multiple_atoms->interface~update_optimizers proc~train_energy_multiple_structures->interface~update_optimizers proc~train_forces_multiple_structures->interface~update_optimizers proc~train_forces_multiple_structures->proc~train_energy_multiple_structures

subroutine merge_warning

subroutine merge_warning( &
    self, &
    other &
)

Merges another GlobalWarninHandler instance into self.

Arguments

subroutine reset_warning

subroutine reset_warning( &
    self, &
    identifier, &
    counter &
)

Resets the counter of a GlobalWarning owned by self to 0.

Arguments

  • self : class(GlobalWarningHandler) [inout]
  • identifier : character [in]– `idname` of the warning to be resetted
  • counter : integer [inout]– Return `counter` which will be resetted

subroutine report_warning

subroutine report_warning( &
    self, &
    verbosity &
)

Prints all GlobalWarnings currently owned by self to STDOUT in a concise table format.

Arguments

  • self : class(GlobalWarningHandler) [in]
  • verbosity : integer [in]– Won't be used, but is required by the interface of `AbstractWarningHandler`

Called By

proc~~report_warning~~CalledByGraph proc~report_warning mod_global_warning::GlobalWarningHandler%report_warning proc~check_signal_collective mod_signal_handler::check_signal_collective proc~check_signal_collective->proc~report_warning program~runner RuNNer program~runner->proc~report_warning program~runner->proc~check_signal_collective proc~precompute_coulomb_matrix_all_chunks mod_calculate_coulomb_matrix::precompute_coulomb_matrix_all_chunks program~runner->proc~precompute_coulomb_matrix_all_chunks proc~precompute_features_all_chunks mod_precompute_features_all_chunks::precompute_features_all_chunks program~runner->proc~precompute_features_all_chunks proc~precompute_global_features_all_chunks mod_precompute_global_features_all_chunks::precompute_global_features_all_chunks program~runner->proc~precompute_global_features_all_chunks proc~predict_mode mod_predict_mode::predict_mode program~runner->proc~predict_mode proc~train_mode mod_train_mode::train_mode program~runner->proc~train_mode proc~dataset_statistics_chi_all_chunks mod_dataset_statistics_chi_all_chunks::dataset_statistics_chi_all_chunks proc~dataset_statistics_chi_all_chunks->proc~check_signal_collective proc~determine_scaling_factor_and_centering_subtrahend_all_chunks~3 mod_feature_map_scaling_all_chunks::determine_scaling_factor_and_centering_subtrahend_all_chunks proc~determine_scaling_factor_and_centering_subtrahend_all_chunks~3->proc~check_signal_collective proc~precompute_coulomb_matrix_all_chunks->proc~check_signal_collective proc~precompute_features_all_chunks->proc~check_signal_collective proc~precompute_global_features_all_chunks->proc~check_signal_collective proc~predict_all_chunks mod_predict_all_chunks::predict_all_chunks proc~predict_all_chunks->proc~check_signal_collective proc~predict_mode->proc~check_signal_collective proc~prediction_statistics_all_chunks mod_feature_map_scaling_all_chunks::prediction_statistics_all_chunks proc~prediction_statistics_all_chunks->proc~check_signal_collective proc~train_loop_4g_charges mod_train_loop_4g_charges::train_loop_4g_charges proc~train_loop_4g_charges->proc~check_signal_collective proc~train_loop_atomic_property mod_train_loop_atomic_property::train_loop_atomic_property proc~train_loop_atomic_property->proc~check_signal_collective proc~train_loop_short_range mod_train_loop_short_range::train_loop_short_range proc~train_loop_short_range->proc~check_signal_collective proc~feature_scaling_and_prediction_statistics_all_chunks mod_feature_map_scaling_all_chunks::feature_scaling_and_prediction_statistics_all_chunks proc~feature_scaling_and_prediction_statistics_all_chunks->proc~determine_scaling_factor_and_centering_subtrahend_all_chunks~3 proc~feature_scaling_and_prediction_statistics_all_chunks->proc~prediction_statistics_all_chunks proc~train_mode->proc~dataset_statistics_chi_all_chunks proc~train_mode->proc~predict_all_chunks proc~train_mode->proc~train_loop_4g_charges proc~train_mode->proc~train_loop_atomic_property proc~train_mode->proc~train_loop_short_range proc~train_mode->proc~feature_scaling_and_prediction_statistics_all_chunks

subroutine print_warning_line

subroutine print_warning_line( &
    prefix, &
    prefix_len, &
    message &
)

Prints a single warning line consisting of a fixed-width prefix followed by message, wrapping the message at OUTPUT_LENGTH and indenting continuation lines to prefix_len so they align with the start of the message on the first line.

Arguments

  • prefix : character [in]– Text printed before the message
  • prefix_len : integer [in]– Width of the prefix block / hanging indent
  • message : character [in]– Warning message (will be wrapped)

Called By

proc~~print_warning_line~~CalledByGraph proc~print_warning_line mod_global_warning::print_warning_line proc~add_warning mod_global_warning::GlobalWarningHandler%add_warning proc~add_warning->proc~print_warning_line proc~report_warning mod_global_warning::GlobalWarningHandler%report_warning proc~report_warning->proc~print_warning_line proc~check_signal_collective mod_signal_handler::check_signal_collective proc~check_signal_collective->proc~report_warning proc~enforce_reading_global_feature_calculator mod_enforce_reading::enforce_reading_global_feature_calculator proc~enforce_reading_global_feature_calculator->proc~add_warning proc~enforce_reading_scaling_data mod_enforce_reading::enforce_reading_scaling_data proc~enforce_reading_scaling_data->proc~add_warning proc~enforce_reading_weights mod_enforce_reading::enforce_reading_weights proc~enforce_reading_weights->proc~add_warning proc~forward_denselayer_omp_parallel mod_dense_layer::forward_denselayer_omp_parallel proc~forward_denselayer_omp_parallel->proc~add_warning proc~forward_denselayer_serial mod_dense_layer::forward_denselayer_serial proc~forward_denselayer_serial->proc~add_warning proc~forward_denselayer_with_single_act mod_dense_layer_with_single_activations::DenseLayerWithSingleActivations%forward_denselayer_with_single_act proc~forward_denselayer_with_single_act->proc~add_warning proc~forward_inputlayer_act mod_input_layer_with_activations::InputLayerWithActivations%forward_inputlayer_act proc~forward_inputlayer_act->proc~add_warning proc~initialize_from_file smod_initialize_from_file::initialize_from_file proc~initialize_from_file->proc~add_warning proc~initialize_from_file_hdnn mod_hdnn::HDNN%initialize_from_file_hdnn proc~initialize_from_file_hdnn->proc~add_warning proc~parameter_weight_decay mod_abstractoptimizer::AbstractOptimizer%parameter_weight_decay proc~parameter_weight_decay->proc~add_warning proc~validate smod_validate_settings::validate proc~validate->proc~add_warning proc~warn_threshold mod_train_helpers::warn_threshold proc~warn_threshold->proc~add_warning program~runner RuNNer program~runner->proc~report_warning program~runner->proc~check_signal_collective proc~precompute_coulomb_matrix_all_chunks mod_calculate_coulomb_matrix::precompute_coulomb_matrix_all_chunks program~runner->proc~precompute_coulomb_matrix_all_chunks proc~precompute_features_all_chunks mod_precompute_features_all_chunks::precompute_features_all_chunks program~runner->proc~precompute_features_all_chunks proc~precompute_global_features_all_chunks mod_precompute_global_features_all_chunks::precompute_global_features_all_chunks program~runner->proc~precompute_global_features_all_chunks proc~predict_mode mod_predict_mode::predict_mode program~runner->proc~predict_mode proc~train_mode mod_train_mode::train_mode program~runner->proc~train_mode proc~adjust_loss_threshold_factor mod_train_helpers::adjust_loss_threshold_factor proc~adjust_loss_threshold_factor->proc~warn_threshold proc~dataset_statistics_chi_all_chunks mod_dataset_statistics_chi_all_chunks::dataset_statistics_chi_all_chunks proc~dataset_statistics_chi_all_chunks->proc~check_signal_collective proc~determine_scaling_factor_and_centering_subtrahend_all_chunks~3 mod_feature_map_scaling_all_chunks::determine_scaling_factor_and_centering_subtrahend_all_chunks proc~determine_scaling_factor_and_centering_subtrahend_all_chunks~3->proc~check_signal_collective proc~enforce_reading_weights_and_fm_scaling_data_1d mod_enforce_reading::enforce_reading_weights_and_fm_scaling_data_1d proc~enforce_reading_weights_and_fm_scaling_data_1d->proc~enforce_reading_global_feature_calculator proc~enforce_reading_weights_and_fm_scaling_data_1d->proc~enforce_reading_scaling_data proc~enforce_reading_weights_and_fm_scaling_data_1d->proc~enforce_reading_weights proc~enforce_reading_weights_and_fm_scaling_data_2d mod_enforce_reading::enforce_reading_weights_and_fm_scaling_data_2d proc~enforce_reading_weights_and_fm_scaling_data_2d->proc~enforce_reading_global_feature_calculator proc~enforce_reading_weights_and_fm_scaling_data_2d->proc~enforce_reading_scaling_data proc~enforce_reading_weights_and_fm_scaling_data_2d->proc~enforce_reading_weights proc~forward_gradient_denselayer_with_single_act mod_dense_layer_with_single_activations::DenseLayerWithSingleActivations%forward_gradient_denselayer_with_single_act proc~forward_gradient_denselayer_with_single_act->proc~forward_denselayer_with_single_act proc~precompute_coulomb_matrix_all_chunks->proc~check_signal_collective proc~precompute_features_all_chunks->proc~check_signal_collective proc~precompute_global_features_all_chunks->proc~check_signal_collective proc~predict_all_chunks mod_predict_all_chunks::predict_all_chunks proc~predict_all_chunks->proc~check_signal_collective proc~predict_mode->proc~check_signal_collective proc~predict_mode->proc~enforce_reading_global_feature_calculator interface~enforce_reading_weights_and_fm_scaling_data mod_enforce_reading::enforce_reading_weights_and_fm_scaling_data proc~predict_mode->interface~enforce_reading_weights_and_fm_scaling_data proc~prediction_statistics_all_chunks mod_feature_map_scaling_all_chunks::prediction_statistics_all_chunks proc~prediction_statistics_all_chunks->proc~check_signal_collective proc~train_loop_4g_charges mod_train_loop_4g_charges::train_loop_4g_charges proc~train_loop_4g_charges->proc~check_signal_collective proc~train_loop_4g_charges->proc~adjust_loss_threshold_factor proc~train_4g_atomic_charges_structure_batch mod_train_4g_atomic_charges_structure_batch::train_4g_atomic_charges_structure_batch proc~train_loop_4g_charges->proc~train_4g_atomic_charges_structure_batch proc~train_loop_atomic_property mod_train_loop_atomic_property::train_loop_atomic_property proc~train_loop_atomic_property->proc~check_signal_collective proc~train_loop_atomic_property->proc~adjust_loss_threshold_factor proc~train_atomic_property_multiple_atoms mod_train_atomic_property_multiple_atoms::train_atomic_property_multiple_atoms proc~train_loop_atomic_property->proc~train_atomic_property_multiple_atoms proc~train_loop_short_range mod_train_loop_short_range::train_loop_short_range proc~train_loop_short_range->proc~check_signal_collective proc~train_loop_short_range->proc~adjust_loss_threshold_factor proc~train_energy_multiple_structures mod_train_energy_multiple_structures::train_energy_multiple_structures proc~train_loop_short_range->proc~train_energy_multiple_structures proc~train_forces_multiple_structures mod_train_forces_multiple_structures::train_forces_multiple_structures proc~train_loop_short_range->proc~train_forces_multiple_structures proc~weight_decay mod_abstractoptimizer::AbstractOptimizer%weight_decay proc~weight_decay->proc~parameter_weight_decay interface~enforce_reading_weights_and_fm_scaling_data->proc~enforce_reading_weights_and_fm_scaling_data_1d interface~enforce_reading_weights_and_fm_scaling_data->proc~enforce_reading_weights_and_fm_scaling_data_2d proc~feature_scaling_and_prediction_statistics_all_chunks mod_feature_map_scaling_all_chunks::feature_scaling_and_prediction_statistics_all_chunks proc~feature_scaling_and_prediction_statistics_all_chunks->proc~determine_scaling_factor_and_centering_subtrahend_all_chunks~3 proc~feature_scaling_and_prediction_statistics_all_chunks->proc~prediction_statistics_all_chunks proc~step_abstractoptimizer_mpi mod_abstractoptimizer::AbstractOptimizer%step_abstractoptimizer_mpi proc~step_abstractoptimizer_mpi->proc~weight_decay proc~train_mode->proc~dataset_statistics_chi_all_chunks proc~train_mode->proc~predict_all_chunks proc~train_mode->proc~train_loop_4g_charges proc~train_mode->proc~train_loop_atomic_property proc~train_mode->proc~train_loop_short_range proc~train_mode->proc~feature_scaling_and_prediction_statistics_all_chunks proc~runner_interface_init mod_runner_interface_bindings::runner_interface_init proc~runner_interface_init->interface~enforce_reading_weights_and_fm_scaling_data proc~update_optimizers_multiple_models mod_train_helpers::update_optimizers_multiple_models proc~update_optimizers_multiple_models->proc~step_abstractoptimizer_mpi proc~update_optimizers_single_model mod_train_helpers::update_optimizers_single_model proc~update_optimizers_single_model->proc~step_abstractoptimizer_mpi interface~update_optimizers mod_train_helpers::update_optimizers interface~update_optimizers->proc~update_optimizers_multiple_models interface~update_optimizers->proc~update_optimizers_single_model proc~runner_lammps_interface_init mod_lammps_interface::runner_lammps_interface_init proc~runner_lammps_interface_init->proc~runner_interface_init proc~train_4g_atomic_charges_structure_batch->interface~update_optimizers proc~train_atomic_property_multiple_atoms->interface~update_optimizers proc~train_energy_multiple_structures->interface~update_optimizers proc~train_forces_multiple_structures->interface~update_optimizers proc~train_forces_multiple_structures->proc~train_energy_multiple_structures

subroutine free_warnings

subroutine free_warnings( &
    self &
)

Arguments