time_pull Subroutine

public subroutine time_pull(s)

Get maximum memory usage since last time push in GB, also make it ready for the next push/pull

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: s

Calls

proc~~time_pull~~CallsGraph proc~time_pull time_pull proc~mem_stat mem_stat proc~time_pull->proc~mem_stat proc~fatal_error fatal_error proc~time_pull->proc~fatal_error proc~ommp_message ommp_message proc~time_pull->proc~ommp_message proc~memory_init memory_init proc~mem_stat->proc~memory_init proc~fatal_error->proc~ommp_message proc~close_output close_output proc~fatal_error->proc~close_output proc~close_output->proc~ommp_message

Called by

proc~~time_pull~~CalledByGraph proc~time_pull time_pull proc~ommp_get_imptorsion_energy ommp_get_imptorsion_energy proc~ommp_get_imptorsion_energy->proc~time_pull proc~ommp_get_torsion_energy ommp_get_torsion_energy proc~ommp_get_torsion_energy->proc~time_pull proc~ommp_vdw_geomgrad ommp_vdw_geomgrad proc~ommp_vdw_geomgrad->proc~time_pull proc~vdw_geomgrad vdw_geomgrad proc~ommp_vdw_geomgrad->proc~vdw_geomgrad proc~mmpol_prepare mmpol_prepare proc~mmpol_prepare->proc~time_pull proc~ommp_full_bnd_geomgrad ommp_full_bnd_geomgrad proc~ommp_full_bnd_geomgrad->proc~time_pull proc~ommp_angtor_geomgrad ommp_angtor_geomgrad proc~ommp_angtor_geomgrad->proc~time_pull proc~vdw_geomgrad->proc~time_pull proc~ommp_get_fixedelec_energy ommp_get_fixedelec_energy proc~ommp_get_fixedelec_energy->proc~time_pull proc~ommp_angle_geomgrad ommp_angle_geomgrad proc~ommp_angle_geomgrad->proc~time_pull proc~ommp_torsion_geomgrad ommp_torsion_geomgrad proc~ommp_torsion_geomgrad->proc~time_pull proc~ommp_get_strbnd_energy ommp_get_strbnd_energy proc~ommp_get_strbnd_energy->proc~time_pull proc~ommp_get_angtor_energy ommp_get_angtor_energy proc~ommp_get_angtor_energy->proc~time_pull proc~polarization polarization proc~polarization->proc~time_pull proc~c_ommp_time_pull C_ommp_time_pull proc~c_ommp_time_pull->proc~time_pull proc~vdw_potential vdw_potential proc~vdw_potential->proc~time_pull proc~ommp_get_bond_energy ommp_get_bond_energy proc~ommp_get_bond_energy->proc~time_pull proc~ommp_strtor_geomgrad ommp_strtor_geomgrad proc~ommp_strtor_geomgrad->proc~time_pull proc~ommp_get_urey_energy ommp_get_urey_energy proc~ommp_get_urey_energy->proc~time_pull proc~ommp_get_full_energy ommp_get_full_energy proc~ommp_get_full_energy->proc~time_pull proc~ommp_get_vdw_energy ommp_get_vdw_energy proc~ommp_get_full_energy->proc~ommp_get_vdw_energy proc~ommp_get_full_bnd_energy ommp_get_full_bnd_energy proc~ommp_get_full_energy->proc~ommp_get_full_bnd_energy proc~ommp_get_full_ele_energy ommp_get_full_ele_energy proc~ommp_get_full_energy->proc~ommp_get_full_ele_energy proc~ommp_opb_geomgrad ommp_opb_geomgrad proc~ommp_opb_geomgrad->proc~time_pull proc~ommp_get_strtor_energy ommp_get_strtor_energy proc~ommp_get_strtor_energy->proc~time_pull proc~ommp_pitors_geomgrad ommp_pitors_geomgrad proc~ommp_pitors_geomgrad->proc~time_pull proc~ommp_get_pitors_energy ommp_get_pitors_energy proc~ommp_get_pitors_energy->proc~time_pull proc~ommp_full_geomgrad ommp_full_geomgrad proc~ommp_full_geomgrad->proc~time_pull proc~ommp_full_geomgrad->proc~ommp_full_bnd_geomgrad proc~ommp_full_geomgrad->proc~vdw_geomgrad proc~polelec_geomgrad polelec_geomgrad proc~ommp_full_geomgrad->proc~polelec_geomgrad proc~mmpol_init mmpol_init proc~mmpol_init->proc~time_pull proc~ommp_get_polelec_energy ommp_get_polelec_energy proc~ommp_get_polelec_energy->proc~time_pull proc~ommp_get_polelec_energy->proc~polarization proc~nl_update nl_update proc~nl_update->proc~time_pull proc~ommp_get_vdw_energy->proc~time_pull proc~ommp_get_vdw_energy->proc~vdw_potential proc~ommp_get_angle_energy ommp_get_angle_energy proc~ommp_get_angle_energy->proc~time_pull proc~ommp_get_tortor_energy ommp_get_tortor_energy proc~ommp_get_tortor_energy->proc~time_pull proc~ommp_get_full_bnd_energy->proc~time_pull proc~mmpol_init_from_xyz mmpol_init_from_xyz proc~mmpol_init_from_xyz->proc~time_pull proc~mmpol_init_from_xyz->proc~mmpol_prepare proc~mmpol_init_from_xyz->proc~mmpol_init proc~assign_vdw assign_vdw proc~mmpol_init_from_xyz->proc~assign_vdw proc~ommp_polelec_geomgrad ommp_polelec_geomgrad proc~ommp_polelec_geomgrad->proc~time_pull proc~ommp_polelec_geomgrad->proc~polelec_geomgrad proc~ommp_strbnd_geomgrad ommp_strbnd_geomgrad proc~ommp_strbnd_geomgrad->proc~time_pull proc~ommp_urey_geomgrad ommp_urey_geomgrad proc~ommp_urey_geomgrad->proc~time_pull proc~ommp_tortor_geomgrad ommp_tortor_geomgrad proc~ommp_tortor_geomgrad->proc~time_pull proc~ommp_rotation_geomgrad ommp_rotation_geomgrad proc~ommp_rotation_geomgrad->proc~time_pull proc~ommp_bond_geomgrad ommp_bond_geomgrad proc~ommp_bond_geomgrad->proc~time_pull proc~ommp_get_opb_energy ommp_get_opb_energy proc~ommp_get_opb_energy->proc~time_pull proc~ommp_fixedelec_geomgrad ommp_fixedelec_geomgrad proc~ommp_fixedelec_geomgrad->proc~time_pull proc~mmpol_init_from_mmp mmpol_init_from_mmp proc~mmpol_init_from_mmp->proc~time_pull proc~mmpol_init_from_mmp->proc~mmpol_prepare proc~mmpol_init_from_mmp->proc~mmpol_init proc~ommp_imptorsion_geomgrad ommp_imptorsion_geomgrad proc~ommp_imptorsion_geomgrad->proc~time_pull proc~c_ommp_get_pitors_energy C_ommp_get_pitors_energy proc~c_ommp_get_pitors_energy->proc~ommp_get_pitors_energy proc~c_ommp_get_full_bnd_energy C_ommp_get_full_bnd_energy proc~c_ommp_get_full_bnd_energy->proc~ommp_get_full_bnd_energy proc~c_ommp_get_tortor_energy C_ommp_get_tortor_energy proc~c_ommp_get_tortor_energy->proc~ommp_get_tortor_energy proc~c_ommp_rotation_geomgrad C_ommp_rotation_geomgrad proc~c_ommp_rotation_geomgrad->proc~ommp_rotation_geomgrad proc~ommp_set_external_field ommp_set_external_field proc~ommp_set_external_field->proc~polarization proc~c_ommp_get_imptorsion_energy C_ommp_get_imptorsion_energy proc~c_ommp_get_imptorsion_energy->proc~ommp_get_imptorsion_energy program~test_si_potential test_SI_potential program~test_si_potential->proc~ommp_get_imptorsion_energy program~test_si_potential->proc~ommp_get_torsion_energy program~test_si_potential->proc~ommp_get_fixedelec_energy program~test_si_potential->proc~ommp_get_strbnd_energy program~test_si_potential->proc~ommp_get_angtor_energy program~test_si_potential->proc~ommp_get_bond_energy program~test_si_potential->proc~ommp_get_urey_energy program~test_si_potential->proc~ommp_get_strtor_energy program~test_si_potential->proc~ommp_get_pitors_energy program~test_si_potential->proc~ommp_get_polelec_energy program~test_si_potential->proc~ommp_get_vdw_energy program~test_si_potential->proc~ommp_get_angle_energy program~test_si_potential->proc~ommp_get_tortor_energy program~test_si_potential->proc~ommp_get_opb_energy program~test_si_potential->proc~ommp_set_external_field proc~ommp_system_from_qm_helper ommp_system_from_qm_helper proc~ommp_system_from_qm_helper->proc~mmpol_prepare proc~ommp_system_from_qm_helper->proc~mmpol_init proc~ommp_system_from_qm_helper->proc~assign_vdw proc~c_ommp_vdw_geomgrad C_ommp_vdw_geomgrad proc~c_ommp_vdw_geomgrad->proc~ommp_vdw_geomgrad proc~c_ommp_full_bnd_geomgrad C_ommp_full_bnd_geomgrad proc~c_ommp_full_bnd_geomgrad->proc~ommp_full_bnd_geomgrad proc~c_ommp_angtor_geomgrad C_ommp_angtor_geomgrad proc~c_ommp_angtor_geomgrad->proc~ommp_angtor_geomgrad proc~ommp_get_full_ele_energy->proc~ommp_get_fixedelec_energy proc~ommp_get_full_ele_energy->proc~ommp_get_polelec_energy proc~c_ommp_get_fixedelec_energy C_ommp_get_fixedelec_energy proc~c_ommp_get_fixedelec_energy->proc~ommp_get_fixedelec_energy proc~c_ommp_angle_geomgrad C_ommp_angle_geomgrad proc~c_ommp_angle_geomgrad->proc~ommp_angle_geomgrad proc~c_ommp_get_strbnd_energy C_ommp_get_strbnd_energy proc~c_ommp_get_strbnd_energy->proc~ommp_get_strbnd_energy proc~polelec_geomgrad->proc~polarization proc~c_ommp_fixedelec_geomgrad C_ommp_fixedelec_geomgrad proc~c_ommp_fixedelec_geomgrad->proc~ommp_fixedelec_geomgrad proc~c_ommp_pitors_geomgrad C_ommp_pitors_geomgrad proc~c_ommp_pitors_geomgrad->proc~ommp_pitors_geomgrad proc~c_ommp_torsion_geomgrad C_ommp_torsion_geomgrad proc~c_ommp_torsion_geomgrad->proc~ommp_torsion_geomgrad proc~c_ommp_get_angle_energy C_ommp_get_angle_energy proc~c_ommp_get_angle_energy->proc~ommp_get_angle_energy proc~c_ommp_get_bond_energy C_ommp_get_bond_energy proc~c_ommp_get_bond_energy->proc~ommp_get_bond_energy proc~ommp_init_mmp ommp_init_mmp proc~ommp_init_mmp->proc~mmpol_init_from_mmp proc~c_ommp_tortor_geomgrad C_ommp_tortor_geomgrad proc~c_ommp_tortor_geomgrad->proc~ommp_tortor_geomgrad proc~ommptest_totalqmmm_geomgrad ommptest_totalqmmm_geomgrad proc~ommptest_totalqmmm_geomgrad->proc~ommp_full_geomgrad proc~c_ommp_strbnd_geomgrad C_ommp_strbnd_geomgrad proc~c_ommp_strbnd_geomgrad->proc~ommp_strbnd_geomgrad proc~c_ommp_get_full_energy C_ommp_get_full_energy proc~c_ommp_get_full_energy->proc~ommp_get_full_energy proc~c_ommp_get_angtor_energy C_ommp_get_angtor_energy proc~c_ommp_get_angtor_energy->proc~ommp_get_angtor_energy proc~c_ommp_strtor_geomgrad C_ommp_strtor_geomgrad proc~c_ommp_strtor_geomgrad->proc~ommp_strtor_geomgrad proc~c_ommp_get_torsion_energy C_ommp_get_torsion_energy proc~c_ommp_get_torsion_energy->proc~ommp_get_torsion_energy proc~c_ommp_get_urey_energy C_ommp_get_urey_energy proc~c_ommp_get_urey_energy->proc~ommp_get_urey_energy proc~ommptest_fakeqm_internal_geomgrad ommptest_fakeqm_internal_geomgrad proc~ommptest_fakeqm_internal_geomgrad->proc~ommp_full_geomgrad proc~ommptest_fakeqm_linkatom_geomgrad ommptest_fakeqm_linkatom_geomgrad proc~ommptest_fakeqm_linkatom_geomgrad->proc~ommp_full_geomgrad proc~c_ommp_get_polelec_energy C_ommp_get_polelec_energy proc~c_ommp_get_polelec_energy->proc~ommp_get_polelec_energy proc~c_ommp_get_vdw_energy C_ommp_get_vdw_energy proc~c_ommp_get_vdw_energy->proc~ommp_get_vdw_energy proc~c_ommp_urey_geomgrad C_ommp_urey_geomgrad proc~c_ommp_urey_geomgrad->proc~ommp_urey_geomgrad proc~c_ommp_get_opb_energy C_ommp_get_opb_energy proc~c_ommp_get_opb_energy->proc~ommp_get_opb_energy proc~ommp_init_xyz ommp_init_xyz proc~ommp_init_xyz->proc~mmpol_init_from_xyz proc~c_ommp_bond_geomgrad C_ommp_bond_geomgrad proc~c_ommp_bond_geomgrad->proc~ommp_bond_geomgrad proc~c_ommp_polelec_geomgrad C_ommp_polelec_geomgrad proc~c_ommp_polelec_geomgrad->proc~ommp_polelec_geomgrad proc~c_ommp_opb_geomgrad C_ommp_opb_geomgrad proc~c_ommp_opb_geomgrad->proc~ommp_opb_geomgrad proc~nl_init nl_init proc~nl_init->proc~nl_update proc~c_ommp_full_geomgrad C_ommp_full_geomgrad proc~c_ommp_full_geomgrad->proc~ommp_full_geomgrad proc~c_ommp_imptorsion_geomgrad C_ommp_imptorsion_geomgrad proc~c_ommp_imptorsion_geomgrad->proc~ommp_imptorsion_geomgrad proc~c_ommp_get_strtor_energy C_ommp_get_strtor_energy proc~c_ommp_get_strtor_energy->proc~ommp_get_strtor_energy proc~ommp_set_external_field_nomm ommp_set_external_field_nomm proc~ommp_set_external_field_nomm->proc~ommp_set_external_field proc~c_ommp_system_from_qm_helper C_ommp_system_from_qm_helper proc~c_ommp_system_from_qm_helper->proc~ommp_system_from_qm_helper proc~c_ommp_set_external_field C_ommp_set_external_field proc~c_ommp_set_external_field->proc~ommp_set_external_field program~test_si_geomgrad test_SI_geomgrad program~test_si_geomgrad->proc~ommp_system_from_qm_helper proc~c_ommp_set_external_field_nomm C_ommp_set_external_field_nomm proc~c_ommp_set_external_field_nomm->proc~ommp_set_external_field program~test_si_geomgrad_num test_SI_geomgrad_num program~test_si_geomgrad_num->proc~ommp_system_from_qm_helper proc~c_ommp_get_full_ele_energy C_ommp_get_full_ele_energy proc~c_ommp_get_full_ele_energy->proc~ommp_get_full_ele_energy proc~c_ommp_init_mmp C_ommp_init_mmp proc~c_ommp_init_mmp->proc~ommp_init_mmp proc~c_ommp_init_xyz C_ommp_init_xyz proc~c_ommp_init_xyz->proc~ommp_init_xyz proc~vdw_init vdw_init proc~vdw_init->proc~nl_init proc~vdw_set_cutoff vdw_set_cutoff proc~vdw_set_cutoff->proc~nl_init proc~qm_helper_init_vdw qm_helper_init_vdw proc~qm_helper_init_vdw->proc~vdw_init proc~assign_vdw->proc~vdw_init proc~ommp_set_vdw_cutoff ommp_set_vdw_cutoff proc~ommp_set_vdw_cutoff->proc~vdw_set_cutoff proc~c_ommp_qm_helper_init_vdw C_ommp_qm_helper_init_vdw proc~c_ommp_qm_helper_init_vdw->proc~qm_helper_init_vdw proc~qm_helper_init_vdw_prm qm_helper_init_vdw_prm proc~qm_helper_init_vdw_prm->proc~assign_vdw proc~c_ommp_set_vdw_cutoff C_ommp_set_vdw_cutoff proc~c_ommp_set_vdw_cutoff->proc~ommp_set_vdw_cutoff proc~ommp_create_link_atom ommp_create_link_atom proc~ommp_create_link_atom->proc~qm_helper_init_vdw_prm proc~c_ommp_qm_helper_init_vdw_prm C_ommp_qm_helper_init_vdw_prm proc~c_ommp_qm_helper_init_vdw_prm->proc~qm_helper_init_vdw_prm proc~c_ommp_create_link_atom C_ommp_create_link_atom proc~c_ommp_create_link_atom->proc~ommp_create_link_atom

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