StartDate: 2019-06-14 19:15:51+00:00 CpuId: Intel Core i7-5000 Extreme Edition (Haswell R2) / Xeon E5-x600 / Xeon E5-4800 / Xeon E5-8800 v3 (Haswell-EP), 22nm CommitSHA: d0d6bfb54711c7ac3e6254c1e6db53e084d68db7 CommitTime: 2019-06-14 18:18:04 +0200 CommitAuthor: Juerg Hutter CommitSubject: CORE guess for OT, xTB charge tests, xTB default guess = CORE (#414) Trying to pull image cp2k-toolchain... success :-) Trying to pull image cp2k-conventions... success :-) #################### Running Image cp2k-conventions #################### ========== Fetching Git Commit ========== From https://github.com/cp2k/cp2k * branch master -> FETCH_HEAD 5e37bfe..d0d6bfb master -> origin/master HEAD is now at d0d6bfb CORE guess for OT, xTB charge tests, xTB default guess = CORE (#414) CommitSHA: d0d6bfb54711c7ac3e6254c1e6db53e084d68db7 CommitTime: 2019-06-14 18:18:04 +0200 CommitAuthor: Juerg Hutter CommitSubject: CORE guess for OT, xTB charge tests, xTB default guess = CORE (#414) ========== Running Test ========== ========== Running Conventions Test ========== Date: 2019-06-14 19:17:57+00:00 Discovering programs ... Discovering programs ... Data file BASIS_SET copied to tests/QMMM/QS (suppressed) Data file GTH_BASIS_SETS copied to tests/QMMM/QS (suppressed) Data file MM_POTENTIAL copied to tests/QMMM/QS (suppressed) Data file POTENTIAL copied to tests/QMMM/QS (suppressed) Flag FD_DEBUG not mentioned in INSTALL.md (suppressed) Flag FD_DEBUG not mentioned in cp2k_flags() (suppressed) Flag INTEL_MKL_VERSION not mentioned in INSTALL.md (suppressed) Flag INTEL_MKL_VERSION not mentioned in cp2k_flags() (suppressed) Flag XC_MAJOR_VERSION not mentioned in INSTALL.md (suppressed) Flag XC_MAJOR_VERSION not mentioned in cp2k_flags() (suppressed) Flag __CRAY_PM_FAKE_ENERGY not mentioned in INSTALL.md (suppressed) Flag __DATA_DIR not mentioned in cp2k_flags() (suppressed) Flag __FFTW3_UNALIGNED not mentioned in cp2k_flags() (suppressed) Flag __FORCE_USE_FAST_MATH not mentioned in INSTALL.md (suppressed) Flag __FORCE_USE_FAST_MATH not mentioned in cp2k_flags() (suppressed) Flag __GRID_CORE not mentioned in cp2k_flags() (suppressed) Flag __HAS_smm_cnt not mentioned in INSTALL.md (suppressed) Flag __HAS_smm_ctn not mentioned in INSTALL.md (suppressed) Flag __HAS_smm_ctt not mentioned in INSTALL.md (suppressed) Flag __HAS_smm_dnt not mentioned in INSTALL.md (suppressed) Flag __HAS_smm_dtn not mentioned in INSTALL.md (suppressed) Flag __HAS_smm_dtt not mentioned in INSTALL.md (suppressed) Flag __HAS_smm_snt not mentioned in INSTALL.md (suppressed) Flag __HAS_smm_stn not mentioned in INSTALL.md (suppressed) Flag __HAS_smm_stt not mentioned in INSTALL.md (suppressed) Flag __HAS_smm_znt not mentioned in INSTALL.md (suppressed) Flag __HAS_smm_ztn not mentioned in INSTALL.md (suppressed) Flag __HAS_smm_ztt not mentioned in INSTALL.md (suppressed) Flag __PILAENV_BLOCKSIZE not mentioned in cp2k_flags() (suppressed) Flag __PW_CUDA_NO_HOSTALLOC not mentioned in INSTALL.md (suppressed) Flag __RELEASE_VERSION not mentioned in INSTALL.md (suppressed) Flag __RELEASE_VERSION not mentioned in cp2k_flags() (suppressed) al_system_dynamics.F: Found WRITE statement with hardcoded unit in "dump_vel" (suppressed) almo_scf.F: Found WRITE statement with hardcoded unit in "almo_scf_init" (suppressed) base_hooks.F: Found CALL m_abort in procedure "cp_abort" (suppressed) base_hooks.F: Found STOP statement in procedure "cp__a" (suppressed) base_hooks.F: Found STOP statement in procedure "cp__b" (suppressed) base_hooks.F: Found STOP statement in procedure "cp_abort" (suppressed) base_hooks.F: Found WRITE statement with hardcoded unit in "cp_abort" (suppressed) base_hooks.F: Found WRITE statement with hardcoded unit in "cp_hint" (suppressed) base_hooks.F: Found WRITE statement with hardcoded unit in "cp_warn" (suppressed) beta_gamma_psi.F: Found GOTO statement in procedure "bratio" (suppressed) bfgs_optimizer.F: Found GOTO statement in procedure "rat_fun_opt" (suppressed) call_collocate.f90: Routine COLLOCATE_CORE_0 called with an implicit interface. (suppressed) call_collocate.f90: Routine COLLOCATE_CORE_1 called with an implicit interface. (suppressed) call_collocate.f90: Routine COLLOCATE_CORE_2 called with an implicit interface. (suppressed) call_collocate.f90: Routine COLLOCATE_CORE_3 called with an implicit interface. (suppressed) call_collocate.f90: Routine COLLOCATE_CORE_4 called with an implicit interface. (suppressed) call_collocate.f90: Routine COLLOCATE_CORE_5 called with an implicit interface. (suppressed) call_collocate.f90: Routine COLLOCATE_CORE_6 called with an implicit interface. (suppressed) call_collocate.f90: Routine COLLOCATE_CORE_7 called with an implicit interface. (suppressed) call_collocate.f90: Routine COLLOCATE_CORE_8 called with an implicit interface. (suppressed) call_collocate.f90: Routine COLLOCATE_CORE_9 called with an implicit interface. (suppressed) call_collocate.f90: Routine COLLOCATE_CORE_DEFAULT called with an implicit interface. (suppressed) call_collocate_omp.f90: Routine COLLOCATE_CORE_0 called with an implicit interface. (suppressed) call_collocate_omp.f90: Routine COLLOCATE_CORE_1 called with an implicit interface. (suppressed) call_collocate_omp.f90: Routine COLLOCATE_CORE_2 called with an implicit interface. (suppressed) call_collocate_omp.f90: Routine COLLOCATE_CORE_3 called with an implicit interface. (suppressed) call_collocate_omp.f90: Routine COLLOCATE_CORE_4 called with an implicit interface. (suppressed) call_collocate_omp.f90: Routine COLLOCATE_CORE_5 called with an implicit interface. (suppressed) call_collocate_omp.f90: Routine COLLOCATE_CORE_6 called with an implicit interface. (suppressed) call_collocate_omp.f90: Routine COLLOCATE_CORE_7 called with an implicit interface. (suppressed) call_collocate_omp.f90: Routine COLLOCATE_CORE_8 called with an implicit interface. (suppressed) call_collocate_omp.f90: Routine COLLOCATE_CORE_9 called with an implicit interface. (suppressed) call_collocate_omp.f90: Routine COLLOCATE_CORE_DEFAULT called with an implicit interface. (suppressed) cg_test.F: Found WRITE statement with hardcoded unit in "clebsch_gordon_test" (suppressed) cp2k_shell.F: Found GOTO statement in procedure "cp2k_shell" (suppressed) cp2k_shell.F: Found OPEN statement in procedure "get_eof_stat" (suppressed) cp2k_shell.F: Found READ with unchecked STAT in "cp2k_shell" (suppressed) cp_dbcsr_cholesky.F: Routine PDCOPY called with an implicit interface. (suppressed) cp_dbcsr_cholesky.F: Routine PDPOTRF called with an implicit interface. (suppressed) cp_dbcsr_cholesky.F: Routine PDPOTRI called with an implicit interface. (suppressed) cp_dbcsr_cholesky.F: Routine PDTRMM called with an implicit interface. (suppressed) cp_dbcsr_cholesky.F: Routine PDTRSM called with an implicit interface. (suppressed) cp_dbcsr_cholesky.F: Routine PSCOPY called with an implicit interface. (suppressed) cp_dbcsr_cholesky.F: Routine PSPOTRF called with an implicit interface. (suppressed) cp_dbcsr_cholesky.F: Routine PSPOTRI called with an implicit interface. (suppressed) cp_dbcsr_cholesky.F: Routine PSTRMM called with an implicit interface. (suppressed) cp_dbcsr_cholesky.F: Routine PSTRSM called with an implicit interface. (suppressed) cp_dbcsr_operations.F: Found CALL cp_fm_gemm in procedure "cp_dbcsr_plus_fm_fm_t" (suppressed) cp_dbcsr_operations.F: Found WRITE statement with hardcoded unit in "cp_dbcsr_plus_fm_fm_t" (suppressed) cp_dbcsr_operations.F: Found WRITE statement with hardcoded unit in "create_bl_distribution" (suppressed) cp_dbcsr_operations.F: Found WRITE statement with hardcoded unit in "dbcsr_create_dist_block_cyclic" (suppressed) cp_ddapc_util.F: Found WRITE statement with hardcoded unit in "debug_charge" (suppressed) cp_ddapc_util.F: Found WRITE statement with hardcoded unit in "debug_der_a_matrix" (suppressed) cp_ddapc_util.F: Found WRITE statement with hardcoded unit in "debug_der_b_vector" (suppressed) cp_error_handling.F: Found CALL mp_abort in procedure "cp_abort_handler" (suppressed) cp_files.F: Found CLOSE statement in procedure "close_file" (suppressed) cp_files.F: Found OPEN statement in procedure "open_file" (suppressed) cp_fm_basic_linalg.F: Found CALL cp_fm_gemm in procedure "cp_complex_fm_gemm" (suppressed) cp_fm_diag.F: Found CALL cp_fm_gemm in procedure "cp_fm_geeig_canon" (suppressed) cp_gemm_interface.F: Found CALL cp_fm_gemm in procedure "cp_gemm" (suppressed) cp_lbfgs.F: Found WRITE statement with hardcoded unit in "active" (suppressed) cp_lbfgs.F: Found WRITE statement with hardcoded unit in "cauchy" (suppressed) cp_lbfgs.F: Found WRITE statement with hardcoded unit in "freev" (suppressed) cp_lbfgs.F: Found WRITE statement with hardcoded unit in "lnsrlb" (suppressed) cp_lbfgs.F: Found WRITE statement with hardcoded unit in "mainlb" (suppressed) cp_lbfgs.F: Found WRITE statement with hardcoded unit in "prn1lb" (suppressed) cp_lbfgs.F: Found WRITE statement with hardcoded unit in "prn2lb" (suppressed) cp_lbfgs.F: Found WRITE statement with hardcoded unit in "prn3lb" (suppressed) cp_lbfgs.F: Found WRITE statement with hardcoded unit in "subsm" (suppressed) cp_log_handling.F: Found WRITE statement with hardcoded unit in "cp_int_to_string" (suppressed) cp_log_handling.F: Found WRITE statement with hardcoded unit in "cp_logger_get_default_unit_nr" (suppressed) cp_parser_inpp_methods.F: Found READ with unchecked STAT in "inpp_process_directive" (suppressed) cube_utils.F: Found WRITE statement with hardcoded unit in "return_cube_nonortho" (suppressed) d3_poly.F: Found CALL RANDOM_NUMBER in procedure "poly_random" (suppressed) dkh_main.F: Found WRITE statement with hardcoded unit in "kintegral" (suppressed) dkh_main.F: Found WRITE statement with hardcoded unit in "kintegral_a" (suppressed) domain_submatrix_methods.F: Found WRITE statement with hardcoded unit in "print_submatrices" (suppressed) eip_silicon.F: Found OPEN statement in procedure "eip_bazant_silicon" (suppressed) eip_silicon.F: Found OPEN statement in procedure "eip_lenosky_silicon" (suppressed) eip_silicon.F: Found WRITE statement with hardcoded unit in "eip_bazant_silicon" (suppressed) eip_silicon.F: Found WRITE statement with hardcoded unit in "eip_lenosky_silicon" (suppressed) eip_silicon.F: Found WRITE statement with hardcoded unit in "subfeniat_b" (suppressed) eip_silicon.F: Found WRITE statement with hardcoded unit in "subfeniat_l" (suppressed) et_coupling_proj.F: Routine INFOG2L called with an implicit interface. (suppressed) extended_system_init.F: Found WRITE statement with hardcoded unit in "init_barostat_variables" (suppressed) farming_methods.F: Found CLOSE statement in procedure "farming_parse_input" (suppressed) farming_methods.F: Found OPEN statement in procedure "farming_parse_input" (suppressed) fparser.F: Copyright banner malformed (suppressed) fparser.F: Found WRITE statement with hardcoded unit in "parseerrmsg" (suppressed) free_energy_methods.F: Found WRITE statement with hardcoded unit in "ui_check_norm_sc" (suppressed) free_energy_methods.F: Found WRITE statement with hardcoded unit in "ui_check_norm_sc_low" (suppressed) free_energy_methods.F: Found WRITE statement with hardcoded unit in "ui_check_trend" (suppressed) glbopt_history.F: Found WRITE statement with hardcoded unit in "verify_history_lookup" (suppressed) glbopt_mincrawl.F: Found WRITE statement with hardcoded unit in "print_tempdist" (suppressed) glob_matching.F: Copyright banner malformed (suppressed) gopt_f77_methods.h: Copyright banner malformed (suppressed) graph.F: Copyright banner malformed (suppressed) graph.F: Found CALL RANDOM_SEED in procedure "graph" (suppressed) graph.F: Found WRITE statement with hardcoded unit in "graph" (suppressed) graph_methods.F: Copyright banner malformed (suppressed) graph_methods.F: Found OPEN statement in procedure "fes_cube_write" (suppressed) graph_methods.F: Found WRITE statement with hardcoded unit in "fes_cube_write" (suppressed) graph_methods.F: Found WRITE statement with hardcoded unit in "fes_min" (suppressed) graph_methods.F: Found WRITE statement with hardcoded unit in "fes_path" (suppressed) graph_utils.F: Copyright banner malformed (suppressed) graph_utils.F: Found WRITE statement with hardcoded unit in "get_val_res" (suppressed) graphcon.F: Found GOTO statement in procedure "all_permutations" (suppressed) graphcon.F: Found WRITE statement with hardcoded unit in "reorder_graph" (suppressed) hfx_admm_utils.F: Found WRITE statement with hardcoded unit in "create_admm_xc_section" (suppressed) hfx_compression_methods.F: Found READ with unchecked STAT in "hfx_decompress_cache" (suppressed) hfx_energy_potential.F: Found WRITE statement with hardcoded unit in "print_integrals" (suppressed) input_enumeration_types.F: Found WRITE statement with hardcoded unit in "enum_i2c" (suppressed) input_parsing.F: Found WRITE statement with hardcoded unit in "section_vals_parse" (suppressed) library_tests.F: Found CALL RANDOM_NUMBER in procedure "copy_test" (suppressed) library_tests.F: Found CALL RANDOM_NUMBER in procedure "cp_fm_gemm_test" (suppressed) library_tests.F: Found CALL RANDOM_NUMBER in procedure "fft_test" (suppressed) library_tests.F: Found CALL RANDOM_NUMBER in procedure "rs_pw_transfer_test" (suppressed) library_tests.F: Routine PILAENV called with an implicit interface. (suppressed) machine.F: Found OPEN statement in procedure "m_cpuinfo" (suppressed) machine_cpuid.c: Copyright banner malformed (suppressed) machine_cpuid.h: Copyright banner malformed (suppressed) machine_internal.F: Found CALL m_abort in procedure "m_getarg" (suppressed) machine_internal.F: Found CALL m_abort in procedure "m_getcwd" (suppressed) machine_internal.F: Found CALL m_abort in procedure "m_hostnm" (suppressed) machine_internal.F: Found CALL m_abort in procedure "m_mov" (suppressed) machine_internal.F: Found CLOSE statement in procedure "m_memory_details" (suppressed) machine_internal.F: Found OPEN statement in procedure "m_memory" (suppressed) machine_internal.F: Found OPEN statement in procedure "m_memory_details" (suppressed) machine_internal.F: Found WRITE statement with hardcoded unit in "m_getarg" (suppressed) machine_internal.F: Found WRITE statement with hardcoded unit in "m_getcwd" (suppressed) machine_internal.F: Found WRITE statement with hardcoded unit in "m_hostnm" (suppressed) machine_internal.F: Found WRITE statement with hardcoded unit in "m_mov" (suppressed) mathlib.F: Found WRITE statement with hardcoded unit in "diag" (suppressed) mc_coordinates.F: Found WRITE statement with hardcoded unit in "generate_cbmc_swap_config" (suppressed) mc_move_control.F: Found WRITE statement with hardcoded unit in "mc_move_update" (suppressed) message_passing.F: Found CALL m_abort in procedure "mp_abort" (suppressed) message_passing.F: Found CLOSE statement in procedure "mp_file_close" (suppressed) message_passing.F: Found OPEN statement in procedure "mp_file_open" (suppressed) message_passing.F: Found STOP statement in procedure "mp_abort" (suppressed) message_passing.F: USE statement at (1) has no ONLY qualifier [-Wuse-without-only] (suppressed) mltfftsg_tools.F: Found WRITE statement with hardcoded unit in "ctrig" (suppressed) mm_collocate_potential.F: Routine COLLOCATE_GF_NPBC called with an implicit interface. (suppressed) mm_collocate_potential.F: Routine INTEGRATE_GF_NPBC called with an implicit interface. (suppressed) mode_selective.F: Found READ with unchecked STAT in "bfgs_guess" (suppressed) optimize_embedding_potential.F: Found FLOAT in "init_embed_pot" (suppressed) powell.F: Found GOTO statement in procedure "newuob" (suppressed) preconditioner_makes.F: Found WRITE statement with hardcoded unit in "make_full_all" (suppressed) preconditioner_makes.F: Found WRITE statement with hardcoded unit in "make_full_all_ortho" (suppressed) ps_wavelet_base.F: Found WRITE statement with hardcoded unit in "f_poissonsolver" (suppressed) ps_wavelet_base.F: Found WRITE statement with hardcoded unit in "p_poissonsolver" (suppressed) ps_wavelet_base.F: Found WRITE statement with hardcoded unit in "s_poissonsolver" (suppressed) ps_wavelet_fft3d.F: Found WRITE statement with hardcoded unit in "ctrig" (suppressed) ps_wavelet_fft3d.F: Found WRITE statement with hardcoded unit in "fourier_dim" (suppressed) ps_wavelet_kernel.F: Found WRITE statement with hardcoded unit in "indices" (suppressed) ps_wavelet_scaling_function.F: Found WRITE statement with hardcoded unit in "ftest" (suppressed) ps_wavelet_scaling_function.F: Found WRITE statement with hardcoded unit in "scaling_function" (suppressed) ps_wavelet_scaling_function.F: Found WRITE statement with hardcoded unit in "wavelet_function" (suppressed) ps_wavelet_util.F: Found WRITE statement with hardcoded unit in "p_fft_dimensions" (suppressed) ps_wavelet_util.F: Found WRITE statement with hardcoded unit in "s_fft_dimensions" (suppressed) pw_grids.F: Found WRITE statement with hardcoded unit in "pw_grid_sort" (suppressed) qs_external_density.F: Found WRITE statement with hardcoded unit in "external_read_density" (suppressed) qs_fb_env_methods.F: Found CALL cp_fm_gemm in procedure "fb_env_do_diag" (suppressed) qs_fb_filter_matrix_methods.F: Found WRITE statement with hardcoded unit in "fb_fltrmat_build_atomic_fltrmat" (suppressed) qs_gspace_mixing.F: Found WRITE statement with hardcoded unit in "broyden_mixing_new" (suppressed) qs_initial_guess.F: Found WRITE statement with hardcoded unit in "calculate_first_density_matrix" (suppressed) qs_integrate_potential_low.F: Routine INTEGRATE_CORE_0 called with an implicit interface. (suppressed) qs_integrate_potential_low.F: Routine INTEGRATE_CORE_1 called with an implicit interface. (suppressed) qs_integrate_potential_low.F: Routine INTEGRATE_CORE_2 called with an implicit interface. (suppressed) qs_integrate_potential_low.F: Routine INTEGRATE_CORE_3 called with an implicit interface. (suppressed) qs_integrate_potential_low.F: Routine INTEGRATE_CORE_4 called with an implicit interface. (suppressed) qs_integrate_potential_low.F: Routine INTEGRATE_CORE_5 called with an implicit interface. (suppressed) qs_integrate_potential_low.F: Routine INTEGRATE_CORE_6 called with an implicit interface. (suppressed) qs_integrate_potential_low.F: Routine INTEGRATE_CORE_7 called with an implicit interface. (suppressed) qs_integrate_potential_low.F: Routine INTEGRATE_CORE_8 called with an implicit interface. (suppressed) qs_integrate_potential_low.F: Routine INTEGRATE_CORE_9 called with an implicit interface. (suppressed) qs_integrate_potential_low.F: Routine INTEGRATE_CORE_DEFAULT called with an implicit interface. (suppressed) qs_ks_methods.F: Found WRITE statement with hardcoded unit in "calculate_w_matrix_ot" (suppressed) qs_linres_atom_current.F: Found WRITE statement with hardcoded unit in "calculate_jrho_atom_rad" (suppressed) qs_linres_current.F: Found WRITE statement with hardcoded unit in "box_atoms" (suppressed) qs_linres_current.F: Found WRITE statement with hardcoded unit in "box_atoms_new" (suppressed) qs_linres_current.F: Found WRITE statement with hardcoded unit in "calculate_jrho_resp" (suppressed) qs_linres_current.F: Found WRITE statement with hardcoded unit in "collocate_gauge_new" (suppressed) qs_linres_issc_utils.F: Found WRITE statement with hardcoded unit in "issc_issc" (suppressed) qs_linres_op.F: Routine INDXL2G called with an implicit interface. (suppressed) qs_loc_utils.F: Routine PZROT called with an implicit interface. (suppressed) qs_localization_methods.F: Routine PZROT called with an implicit interface. (suppressed) qs_ot.F: Found WRITE statement with hardcoded unit in "qs_ot_generate_rotation" (suppressed) qs_rho_atom_methods.F: Found WRITE statement with hardcoded unit in "init_rho_atom" (suppressed) se_core_matrix.F: Found WRITE statement with hardcoded unit in "aa" (suppressed) se_core_matrix.F: Found WRITE statement with hardcoded unit in "makeds" (suppressed) se_core_matrix.F: Found WRITE statement with hardcoded unit in "makes" (suppressed) se_fock_matrix_coulomb.F: Found WRITE statement with hardcoded unit in "build_fock_matrix_coulomb_lr" (suppressed) se_fock_matrix_dbg.F: Found WRITE statement with hardcoded unit in "dbg_energy_coulomb_lr" (suppressed) semi_empirical_int3_utils.F: Routine EVAL called with an implicit interface. (suppressed) semi_empirical_int_args.h: Copyright banner malformed (suppressed) semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dcore_nucint_ana" (suppressed) semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dcorecore_ana" (suppressed) semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_drotnuc_ana" (suppressed) semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dssss_nucint_ana" (suppressed) semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dterep_ana" (suppressed) semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_rotint_ana" (suppressed) semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_rotmat_der" (suppressed) semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_value" (suppressed) semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "rot_2el_2c_first_debug" (suppressed) semi_empirical_int_debug.F: Routine CHECK_VALUE called with an implicit interface. (suppressed) semi_empirical_int_debug.h: Copyright banner malformed (suppressed) semi_empirical_int_utils.F: Routine EVAL called with an implicit interface. (suppressed) semi_empirical_mpole_methods.F: Found WRITE statement with hardcoded unit in "semi_empirical_mpole_p_setup" (suppressed) sockets.c: Copyright banner malformed (suppressed) spherical_harmonics.F: Found WRITE statement with hardcoded unit in "cgc" (suppressed) spherical_harmonics.F: Found WRITE statement with hardcoded unit in "get_factor" (suppressed) statistical_methods.F: Found WRITE statement with hardcoded unit in "tests" (suppressed) swarm_mpi.F: Found CLOSE statement in procedure "logger_init_master" (suppressed) swarm_mpi.F: Found OPEN statement in procedure "logger_finalize" (suppressed) t_c_g0.F: Copyright banner malformed (suppressed) t_sh_p_s_c.F: Copyright banner malformed (suppressed) task_list_methods.F: Found WRITE statement with hardcoded unit in "generate_qs_task_list" (suppressed) timings.F: Found WRITE statement with hardcoded unit in "timestop_handler" (suppressed) tmc_analysis.F: Found WRITE statement with hardcoded unit in "print_average_displacement" (suppressed) tmc_analysis.F: Found WRITE statement with hardcoded unit in "print_dipole_moment" (suppressed) tmc_analysis.F: Found WRITE statement with hardcoded unit in "print_paircorrelation" (suppressed) tmc_cancelation.F: Found WRITE statement with hardcoded unit in "add_to_canceling_list" (suppressed) tmc_dot_tree.F: Found WRITE statement with hardcoded unit in "create_dot_color" (suppressed) tmc_dot_tree.F: Found WRITE statement with hardcoded unit in "create_global_tree_dot_color" (suppressed) tmc_messages.F: Found WRITE statement with hardcoded unit in "read_energy_result_message" (suppressed) tmc_messages.F: Found WRITE statement with hardcoded unit in "tmc_message" (suppressed) topology_constraint_util.F: Found WRITE statement with hardcoded unit in "setup_lcolv" (suppressed) topology_constraint_util.F: Found WRITE statement with hardcoded unit in "setup_lg3x3" (suppressed) topology_constraint_util.F: Found WRITE statement with hardcoded unit in "setup_lg4x6" (suppressed) topology_coordinate_util.F: Found WRITE statement with hardcoded unit in "topology_coordinate_pack" (suppressed) topology_generate_util.F: Found WRITE statement with hardcoded unit in "generate_molname_low" (suppressed) topology_generate_util.F: Found WRITE statement with hardcoded unit in "topology_generate_molecule" (suppressed) topology_gromos.F: Found READ with unchecked STAT in "read_topology_gromos" (suppressed) topology_pdb.F: Found READ with unchecked STAT in "read_coordinate_pdb" (suppressed) xc.F: Found CLOSE statement in procedure "xc_vxc_pw_create_debug" (suppressed) xc.F: Found CLOSE statement in procedure "xc_vxc_pw_create_test_lsd" (suppressed) xc.F: Found OPEN statement in procedure "xc_vxc_pw_create_debug" (suppressed) xc.F: Found OPEN statement in procedure "xc_vxc_pw_create_test_lsd" (suppressed) xc.F: Found WRITE statement with hardcoded unit in "xc_vxc_pw_create_debug" (suppressed) xc.F: Found WRITE statement with hardcoded unit in "xc_vxc_pw_create_test_lsd" (suppressed) xml_parser.F: Copyright banner malformed (suppressed) xml_parser.F: Found WRITE statement with hardcoded unit in "xml_put_element_" (suppressed) xml_parser.F: Found WRITE statement with hardcoded unit in "xml_report_details_int_" (suppressed) xml_parser.F: Found WRITE statement with hardcoded unit in "xml_report_details_string_" (suppressed) xml_parser.F: Found WRITE statement with hardcoded unit in "xml_report_errors_extern_" (suppressed) xml_parser.F: Found WRITE statement with hardcoded unit in "xml_report_errors_int_" (suppressed) xml_parser.F: Found WRITE statement with hardcoded unit in "xml_report_errors_string_" (suppressed) There are 2 unused suppressions. Plot: name="supps", title="Suppressed Convention Violations", ylabel="# suppressions" PlotPoint: name="coding", plot="supps", label="Coding Conventions", y=279, yerr=0 Summary: Found 0 issues (279 suppressed) Status: OK EndDate: 2019-06-14 19:31:24+00:00