global_coordinator Interface

interface


Calls

interface~~global_coordinator~~CallsGraph interface~global_coordinator global_coordinator proc~global_coordinator global_coordinator interface~global_coordinator->proc~global_coordinator abort_comm abort_comm proc~global_coordinator->abort_comm comm_world comm_world proc~global_coordinator->comm_world error error proc~global_coordinator->error proc~global_coordinator_impl global_coordinator_impl proc~global_coordinator->proc~global_coordinator_impl proc~global_coordinator_impl->abort_comm proc~global_coordinator_impl->error allocate_dipole allocate_dipole proc~global_coordinator_impl->allocate_dipole allocate_gradient allocate_gradient proc~global_coordinator_impl->allocate_gradient allocate_hessian allocate_hessian proc~global_coordinator_impl->allocate_hessian destroy destroy proc~global_coordinator_impl->destroy get_elapsed_time get_elapsed_time proc~global_coordinator_impl->get_elapsed_time info info proc~global_coordinator_impl->info proc~compute_mbe compute_mbe proc~global_coordinator_impl->proc~compute_mbe proc~handle_group_node_requests handle_group_node_requests proc~global_coordinator_impl->proc~handle_group_node_requests proc~handle_group_results handle_group_results proc~global_coordinator_impl->proc~handle_group_results proc~handle_local_worker_requests_group handle_local_worker_requests_group proc~global_coordinator_impl->proc~handle_local_worker_requests_group proc~handle_local_worker_results handle_local_worker_results proc~global_coordinator_impl->proc~handle_local_worker_results proc~handle_node_results handle_node_results proc~global_coordinator_impl->proc~handle_node_results proc~mbe_base_has_geometry many_body_expansion_t%mbe_base_has_geometry proc~global_coordinator_impl->proc~mbe_base_has_geometry proc~queue_destroy queue_destroy proc~global_coordinator_impl->proc~queue_destroy proc~queue_init_from_list queue_init_from_list proc~global_coordinator_impl->proc~queue_init_from_list proc~queue_is_empty queue_is_empty proc~global_coordinator_impl->proc~queue_is_empty proc~send_group_assignment_matrix send_group_assignment_matrix proc~global_coordinator_impl->proc~send_group_assignment_matrix start start proc~global_coordinator_impl->start temp_ids temp_ids proc~global_coordinator_impl->temp_ids to_char to_char proc~global_coordinator_impl->to_char verbose verbose proc~global_coordinator_impl->verbose proc~compute_mbe->abort_comm proc~compute_mbe->error proc~compute_mbe->info proc~compute_mbe->to_char cart_disp cart_disp proc~compute_mbe->cart_disp configuration configuration proc~compute_mbe->configuration fc_mdyne fc_mdyne proc~compute_mbe->fc_mdyne force_constants force_constants proc~compute_mbe->force_constants frequencies frequencies proc~compute_mbe->frequencies get_message get_message proc~compute_mbe->get_message has_error has_error proc~compute_mbe->has_error proc~build_mbe_lookup_table build_mbe_lookup_table proc~compute_mbe->proc~build_mbe_lookup_table proc~compute_mbe_delta compute_mbe_delta proc~compute_mbe->proc~compute_mbe_delta proc~compute_mbe_dipole compute_mbe_dipole proc~compute_mbe->proc~compute_mbe_dipole proc~compute_mbe_dipole_derivatives compute_mbe_dipole_derivatives proc~compute_mbe->proc~compute_mbe_dipole_derivatives proc~compute_mbe_gradient compute_mbe_gradient proc~compute_mbe->proc~compute_mbe_gradient proc~compute_mbe_hessian compute_mbe_hessian proc~compute_mbe->proc~compute_mbe_hessian proc~compute_thermochemistry compute_thermochemistry proc~compute_mbe->proc~compute_thermochemistry proc~compute_vibrational_analysis compute_vibrational_analysis proc~compute_mbe->proc~compute_vibrational_analysis proc~energy_total energy_t%energy_total proc~compute_mbe->proc~energy_total proc~fragment_lookup_destroy fragment_lookup_t%fragment_lookup_destroy proc~compute_mbe->proc~fragment_lookup_destroy proc~map_fragment_to_system_dipole_derivatives map_fragment_to_system_dipole_derivatives proc~compute_mbe->proc~map_fragment_to_system_dipole_derivatives proc~map_fragment_to_system_gradient map_fragment_to_system_gradient proc~compute_mbe->proc~map_fragment_to_system_gradient proc~map_fragment_to_system_hessian map_fragment_to_system_hessian proc~compute_mbe->proc~map_fragment_to_system_hessian proc~print_detailed_breakdown print_detailed_breakdown proc~compute_mbe->proc~print_detailed_breakdown proc~print_mbe_energy_breakdown print_mbe_energy_breakdown proc~compute_mbe->proc~print_mbe_energy_breakdown proc~print_mbe_gradient_info print_mbe_gradient_info proc~compute_mbe->proc~print_mbe_gradient_info proc~print_vibrational_analysis print_vibrational_analysis proc~compute_mbe->proc~print_vibrational_analysis reduced_masses reduced_masses proc~compute_mbe->reduced_masses warning warning proc~compute_mbe->warning iprobe iprobe proc~handle_group_node_requests->iprobe irecv irecv proc~handle_group_node_requests->irecv isend isend proc~handle_group_node_requests->isend proc~queue_pop queue_pop proc~handle_group_node_requests->proc~queue_pop proc~send_fragment_payload_from_row send_fragment_payload_from_row proc~handle_group_node_requests->proc~send_fragment_payload_from_row proc~handle_group_results->abort_comm proc~handle_group_results->error proc~handle_group_results->get_elapsed_time proc~handle_group_results->info proc~handle_group_results->to_char proc~handle_group_results->iprobe proc~handle_group_results->irecv proc~error_get_message error_t%error_get_message proc~handle_group_results->proc~error_get_message proc~result_irecv result_irecv proc~handle_group_results->proc~result_irecv recv recv proc~handle_group_results->recv proc~handle_local_worker_requests_group->iprobe proc~handle_local_worker_requests_group->irecv proc~handle_local_worker_requests_group->isend proc~handle_local_worker_requests_group->proc~queue_pop proc~handle_local_worker_requests_group->proc~send_fragment_payload_from_row proc~handle_local_worker_results->abort_comm proc~handle_local_worker_results->error proc~handle_local_worker_results->get_elapsed_time proc~handle_local_worker_results->info proc~handle_local_worker_results->to_char proc~handle_local_worker_results->iprobe proc~handle_local_worker_results->proc~error_get_message proc~handle_local_worker_results->proc~result_irecv proc~handle_node_results->abort_comm proc~handle_node_results->error proc~handle_node_results->get_elapsed_time proc~handle_node_results->info proc~handle_node_results->to_char proc~handle_node_results->iprobe proc~handle_node_results->irecv proc~handle_node_results->proc~error_get_message proc~handle_node_results->proc~result_irecv proc~send_group_assignment_matrix->isend proc~build_mbe_lookup_table->get_elapsed_time proc~build_mbe_lookup_table->start proc~build_mbe_lookup_table->to_char debug debug proc~build_mbe_lookup_table->debug proc~error_add_context error_t%error_add_context proc~build_mbe_lookup_table->proc~error_add_context proc~error_has_error error_t%error_has_error proc~build_mbe_lookup_table->proc~error_has_error proc~fragment_lookup_init fragment_lookup_t%fragment_lookup_init proc~build_mbe_lookup_table->proc~fragment_lookup_init proc~fragment_lookup_insert fragment_lookup_t%fragment_lookup_insert proc~build_mbe_lookup_table->proc~fragment_lookup_insert proc~compute_mbe_delta->abort_comm proc~compute_mbe_delta->error proc~fragment_lookup_find fragment_lookup_t%fragment_lookup_find proc~compute_mbe_delta->proc~fragment_lookup_find proc~get_next_combination get_next_combination proc~compute_mbe_delta->proc~get_next_combination proc~compute_mbe_dipole->abort_comm proc~compute_mbe_dipole->error proc~compute_mbe_dipole->proc~fragment_lookup_find proc~compute_mbe_dipole->proc~get_next_combination proc~compute_mbe_dipole_derivatives->proc~map_fragment_to_system_dipole_derivatives proc~compute_mbe_dipole_derivatives->proc~fragment_lookup_find proc~compute_mbe_dipole_derivatives->proc~get_next_combination proc~compute_mbe_gradient->abort_comm proc~compute_mbe_gradient->error proc~compute_mbe_gradient->proc~map_fragment_to_system_gradient proc~compute_mbe_gradient->proc~fragment_lookup_find proc~compute_mbe_gradient->proc~get_next_combination proc~compute_mbe_hessian->proc~map_fragment_to_system_hessian proc~compute_mbe_hessian->proc~fragment_lookup_find proc~compute_mbe_hessian->proc~get_next_combination proc~compute_electronic_entropy compute_electronic_entropy proc~compute_thermochemistry->proc~compute_electronic_entropy proc~compute_moments_of_inertia compute_moments_of_inertia proc~compute_thermochemistry->proc~compute_moments_of_inertia proc~compute_partition_functions compute_partition_functions proc~compute_thermochemistry->proc~compute_partition_functions proc~compute_rotational_constants compute_rotational_constants proc~compute_thermochemistry->proc~compute_rotational_constants proc~compute_rotational_thermo compute_rotational_thermo proc~compute_thermochemistry->proc~compute_rotational_thermo proc~compute_translational_thermo compute_translational_thermo proc~compute_thermochemistry->proc~compute_translational_thermo proc~compute_vibrational_thermo compute_vibrational_thermo proc~compute_thermochemistry->proc~compute_vibrational_thermo proc~compute_zpe compute_zpe proc~compute_thermochemistry->proc~compute_zpe proc~compute_cartesian_displacements compute_cartesian_displacements proc~compute_vibrational_analysis->proc~compute_cartesian_displacements proc~compute_force_constants compute_force_constants proc~compute_vibrational_analysis->proc~compute_force_constants proc~compute_ir_intensities compute_ir_intensities proc~compute_vibrational_analysis->proc~compute_ir_intensities proc~compute_reduced_masses compute_reduced_masses proc~compute_vibrational_analysis->proc~compute_reduced_masses proc~compute_vibrational_frequencies compute_vibrational_frequencies proc~compute_vibrational_analysis->proc~compute_vibrational_frequencies proc~mp2_total mp2_energy_t%mp2_total proc~energy_total->proc~mp2_total proc~build_fragment_from_indices build_fragment_from_indices proc~map_fragment_to_system_dipole_derivatives->proc~build_fragment_from_indices proc~fragment_destroy physical_fragment_t%fragment_destroy proc~map_fragment_to_system_dipole_derivatives->proc~fragment_destroy proc~redistribute_cap_dipole_derivatives redistribute_cap_dipole_derivatives proc~map_fragment_to_system_dipole_derivatives->proc~redistribute_cap_dipole_derivatives proc~map_fragment_to_system_gradient->abort_comm proc~map_fragment_to_system_gradient->error proc~map_fragment_to_system_gradient->configuration proc~map_fragment_to_system_gradient->debug proc~map_fragment_to_system_gradient->proc~build_fragment_from_indices proc~error_get_full_trace error_t%error_get_full_trace proc~map_fragment_to_system_gradient->proc~error_get_full_trace proc~map_fragment_to_system_gradient->proc~error_has_error proc~map_fragment_to_system_gradient->proc~fragment_destroy proc~redistribute_cap_gradients redistribute_cap_gradients proc~map_fragment_to_system_gradient->proc~redistribute_cap_gradients proc~map_fragment_to_system_hessian->proc~build_fragment_from_indices proc~map_fragment_to_system_hessian->proc~fragment_destroy proc~redistribute_cap_hessian redistribute_cap_hessian proc~map_fragment_to_system_hessian->proc~redistribute_cap_hessian proc~print_detailed_breakdown->verbose proc~print_detailed_breakdown->warning header header proc~print_detailed_breakdown->header level_name level_name proc~print_detailed_breakdown->level_name proc~get_frag_level_name get_frag_level_name proc~print_detailed_breakdown->proc~get_frag_level_name proc~print_mbe_energy_breakdown->info proc~print_mbe_gradient_info->info proc~print_mbe_gradient_info->to_char proc~print_vibrational_analysis->info proc~print_vibrational_analysis->proc~compute_thermochemistry proc~print_vibrational_analysis->warning proc~element_number_to_symbol element_number_to_symbol proc~print_vibrational_analysis->proc~element_number_to_symbol proc~print_thermochemistry print_thermochemistry proc~print_vibrational_analysis->proc~print_thermochemistry proc~result_irecv->irecv proc~result_irecv->recv proc~send_fragment_payload_from_row->isend proc~build_fragment_payload_from_row build_fragment_payload_from_row proc~send_fragment_payload_from_row->proc~build_fragment_payload_from_row

Called by

interface~~global_coordinator~~CalledByGraph interface~global_coordinator global_coordinator proc~mbe_run_distributed mbe_context_t%mbe_run_distributed proc~mbe_run_distributed->interface~global_coordinator

public module subroutine global_coordinator(ctx, json_data)

Arguments

Type IntentOptional Attributes Name
class(*), intent(in) :: ctx
type(json_output_data_t), intent(out), optional :: json_data

JSON output data