StartDate: 2020-09-19 21:57:22+00:00 CpuId: 16x Intel Core i7-5000 Extreme Edition (Haswell R2) / Xeon E5-x600 / Xeon E5-4800 / Xeon E5-8800 v3 (Haswell-EP), 22nm CommitSHA: 4ce1476d1f83614fefa1252d0f999b9c8796171b CommitTime: 2020-09-19 23:26:29 +0200 CommitAuthor: Ole Schütt CommitSubject: grid: Check floating point exceptions in grid_collocate_replay Trying to pull image cp2k-toolchain-mpich... success :-) Trying to pull image cp2k-conventions... success :-) #################### Running Image cp2k-conventions #################### ========== Fetching Git Commit ========== CommitSHA: 4ce1476d1f83614fefa1252d0f999b9c8796171b CommitTime: 2020-09-19 23:26:29 +0200 CommitAuthor: Ole Schütt CommitSubject: grid: Check floating point exceptions in grid_collocate_replay ========== Cleaning Build Cache ========== Discovering programs ... rm -rf /workspace/cp2k/obj/precommit rm -rf /workspace/cp2k/obj/prettified rm -rf /workspace/cp2k/obj/doxified rm -rf /workspace/cp2k/regtesting/local/ssmp/TEST-* rm -rf /workspace/cp2k/regtesting/local/ssmp/LAST-* rm -rf /workspace/cp2k/exe /workspace/cp2k/obj /workspace/cp2k/lib /workspace/cp2k/regtesting ========== Running Test ========== ========== Running Conventions Test ========== Date: 2020-09-19 22:00:11+00:00 Discovering programs ... ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/exts/dbcsr/libdbcsr.a cmp: /workspace/cp2k/obj/git-ref: No such file or directory ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kbase.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kgridcpu.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kgridref.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kgridcommon.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kfpga.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kmpiwrap.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kfft.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kmetadyn_tools.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kminimax.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kcommon.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libdbcsrx.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kinput.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kfm.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libdbcsrarnoldi.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2khfxbase.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kao.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kshg_int.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2ksubsys.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kgrid.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kpw_env.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kpw.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kxc.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2keri_mme.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kthermostat.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kemd.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kmain.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2ktmc.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kswarm.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kmc.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kmotion.a ar: creating /workspace/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kstart.a Discovering programs ... ar: creating /workspace/cp2k/lib/local_warn/psmp/exts/dbcsr/libdbcsr.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kfpga.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kgridcpu.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kgridcommon.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kbase.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kgridref.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kfft.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kmetadyn_tools.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kmpiwrap.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kminimax.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kcommon.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2khfxbase.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libdbcsrx.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kinput.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kfm.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kao.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libdbcsrarnoldi.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kshg_int.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2ksubsys.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kgrid.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kpw_env.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kpw.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kxc.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2keri_mme.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kthermostat.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kemd.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kmain.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2ktmc.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kswarm.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kmc.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kmotion.a ar: creating /workspace/cp2k/lib/local_warn/psmp/libcp2kstart.a Suppressed entries: Data file BASIS_SET copied to tests/QMMM/QS Data file GTH_BASIS_SETS copied to tests/QMMM/QS Data file MM_POTENTIAL copied to tests/QMMM/QS Data file POTENTIAL copied to tests/QMMM/QS Flag FD_DEBUG not mentioned in INSTALL.md Flag FD_DEBUG not mentioned in cp2k_flags() Flag INTEL_MKL_VERSION not mentioned in INSTALL.md Flag INTEL_MKL_VERSION not mentioned in cp2k_flags() Flag LIBINT2_MAX_AM_eri not mentioned in INSTALL.md Flag LIBINT2_MAX_AM_eri not mentioned in cp2k_flags() Flag LIBINT_CONTRACTED_INTS not mentioned in INSTALL.md Flag LIBINT_CONTRACTED_INTS not mentioned in cp2k_flags() Flag XC_MAJOR_VERSION not mentioned in INSTALL.md Flag XC_MAJOR_VERSION not mentioned in cp2k_flags() Flag __CRAY_PM_FAKE_ENERGY not mentioned in INSTALL.md Flag __DATA_DIR not mentioned in cp2k_flags() Flag __FFTW3_UNALIGNED not mentioned in cp2k_flags() Flag __FORCE_USE_FAST_MATH not mentioned in INSTALL.md Flag __FORCE_USE_FAST_MATH not mentioned in cp2k_flags() Flag __GRID_CORE not mentioned in cp2k_flags() Flag __HAS_smm_cnt not mentioned in INSTALL.md Flag __HAS_smm_ctn not mentioned in INSTALL.md Flag __HAS_smm_ctt not mentioned in INSTALL.md Flag __HAS_smm_dnt not mentioned in INSTALL.md Flag __HAS_smm_dtn not mentioned in INSTALL.md Flag __HAS_smm_dtt not mentioned in INSTALL.md Flag __HAS_smm_snt not mentioned in INSTALL.md Flag __HAS_smm_stn not mentioned in INSTALL.md Flag __HAS_smm_stt not mentioned in INSTALL.md Flag __HAS_smm_znt not mentioned in INSTALL.md Flag __HAS_smm_ztn not mentioned in INSTALL.md Flag __HAS_smm_ztt not mentioned in INSTALL.md Flag __PILAENV_BLOCKSIZE not mentioned in cp2k_flags() Flag __PW_CUDA_NO_HOSTALLOC not mentioned in INSTALL.md Flag __RELEASE_VERSION not mentioned in INSTALL.md Flag __RELEASE_VERSION not mentioned in cp2k_flags() al_system_dynamics.F: Found WRITE statement with hardcoded unit in "dump_vel" almo_scf.F: Found WRITE statement with hardcoded unit in "almo_scf_init" base_hooks.F: Found CALL m_abort in procedure "cp_abort" base_hooks.F: Found STOP statement in procedure "cp__a" base_hooks.F: Found STOP statement in procedure "cp__b" base_hooks.F: Found STOP statement in procedure "cp_abort" base_hooks.F: Found WRITE statement with hardcoded unit in "cp_abort" base_hooks.F: Found WRITE statement with hardcoded unit in "cp_hint" base_hooks.F: Found WRITE statement with hardcoded unit in "cp_warn" beta_gamma_psi.F: Found GOTO statement in procedure "bratio" bfgs_optimizer.F: Found GOTO statement in procedure "rat_fun_opt" call_collocate.f90: Routine COLLOCATE_CORE_0 called with an implicit interface. call_collocate.f90: Routine COLLOCATE_CORE_1 called with an implicit interface. call_collocate.f90: Routine COLLOCATE_CORE_2 called with an implicit interface. call_collocate.f90: Routine COLLOCATE_CORE_3 called with an implicit interface. call_collocate.f90: Routine COLLOCATE_CORE_4 called with an implicit interface. call_collocate.f90: Routine COLLOCATE_CORE_5 called with an implicit interface. call_collocate.f90: Routine COLLOCATE_CORE_6 called with an implicit interface. call_collocate.f90: Routine COLLOCATE_CORE_7 called with an implicit interface. call_collocate.f90: Routine COLLOCATE_CORE_8 called with an implicit interface. call_collocate.f90: Routine COLLOCATE_CORE_9 called with an implicit interface. call_collocate.f90: Routine COLLOCATE_CORE_DEFAULT called with an implicit interface. cg_test.F: Found WRITE statement with hardcoded unit in "clebsch_gordon_test" cp_dbcsr_cholesky.F: Routine PDCOPY called with an implicit interface. cp_dbcsr_cholesky.F: Routine PDPOTRF called with an implicit interface. cp_dbcsr_cholesky.F: Routine PDPOTRI called with an implicit interface. cp_dbcsr_cholesky.F: Routine PDTRMM called with an implicit interface. cp_dbcsr_cholesky.F: Routine PDTRSM called with an implicit interface. cp_dbcsr_cholesky.F: Routine PSCOPY called with an implicit interface. cp_dbcsr_cholesky.F: Routine PSPOTRF called with an implicit interface. cp_dbcsr_cholesky.F: Routine PSPOTRI called with an implicit interface. cp_dbcsr_cholesky.F: Routine PSTRMM called with an implicit interface. cp_dbcsr_cholesky.F: Routine PSTRSM called with an implicit interface. cp_dbcsr_operations.F: Found CALL cp_fm_gemm in procedure "cp_dbcsr_plus_fm_fm_t" cp_dbcsr_operations.F: Found WRITE statement with hardcoded unit in "cp_dbcsr_plus_fm_fm_t" cp_dbcsr_operations.F: Found WRITE statement with hardcoded unit in "create_bl_distribution" cp_dbcsr_operations.F: Found WRITE statement with hardcoded unit in "dbcsr_create_dist_block_cyclic" cp_ddapc_util.F: Found WRITE statement with hardcoded unit in "debug_charge" cp_ddapc_util.F: Found WRITE statement with hardcoded unit in "debug_der_a_matrix" cp_ddapc_util.F: Found WRITE statement with hardcoded unit in "debug_der_b_vector" cp_error_handling.F: Found CALL mp_abort in procedure "cp_abort_handler" cp_files.F: Found CLOSE statement in procedure "close_file" cp_files.F: Found OPEN statement in procedure "open_file" cp_fm_basic_linalg.F: Found CALL cp_fm_gemm in procedure "cp_complex_fm_gemm" cp_fm_diag.F: Found CALL cp_fm_gemm in procedure "cp_fm_geeig_canon" cp_gemm_interface.F: Found CALL cp_fm_gemm in procedure "cp_gemm" cp_lbfgs.F: Found WRITE statement with hardcoded unit in "active" cp_lbfgs.F: Found WRITE statement with hardcoded unit in "cauchy" cp_lbfgs.F: Found WRITE statement with hardcoded unit in "freev" cp_lbfgs.F: Found WRITE statement with hardcoded unit in "lnsrlb" cp_lbfgs.F: Found WRITE statement with hardcoded unit in "mainlb" cp_lbfgs.F: Found WRITE statement with hardcoded unit in "prn1lb" cp_lbfgs.F: Found WRITE statement with hardcoded unit in "prn2lb" cp_lbfgs.F: Found WRITE statement with hardcoded unit in "prn3lb" cp_lbfgs.F: Found WRITE statement with hardcoded unit in "subsm" cp_log_handling.F: Found WRITE statement with hardcoded unit in "cp_int_to_string" cp_log_handling.F: Found WRITE statement with hardcoded unit in "cp_logger_get_default_unit_nr" cp_parser_inpp_methods.F: Found READ with unchecked STAT in "inpp_process_directive" cube_utils.F: Found WRITE statement with hardcoded unit in "return_cube_nonortho" d3_poly.F: Found CALL RANDOM_NUMBER in procedure "poly_random" dkh_main.F: Found WRITE statement with hardcoded unit in "kintegral" dkh_main.F: Found WRITE statement with hardcoded unit in "kintegral_a" domain_submatrix_methods.F: Found WRITE statement with hardcoded unit in "print_submatrices" dumpdcd.F: Found CLOSE statement in procedure "dumpdcd" dumpdcd.F: Found OPEN statement in procedure "dumpdcd" dumpdcd.F: Found STOP statement in procedure "abort_program" dumpdcd.F: Found STOP statement in procedure "dumpdcd" dumpdcd.F: Found WRITE statement with hardcoded unit in "abort_program" dumpdcd.F: Found WRITE statement with hardcoded unit in "print_help" eip_silicon.F: Found OPEN statement in procedure "eip_bazant_silicon" eip_silicon.F: Found OPEN statement in procedure "eip_lenosky_silicon" eip_silicon.F: Found WRITE statement with hardcoded unit in "eip_bazant_silicon" eip_silicon.F: Found WRITE statement with hardcoded unit in "eip_lenosky_silicon" eip_silicon.F: Found WRITE statement with hardcoded unit in "subfeniat_b" eip_silicon.F: Found WRITE statement with hardcoded unit in "subfeniat_l" eri_mme_lattice_summation.F: ‘__var_14_matmul.dim[0].lbound’ is used uninitialized in this function [-Wuninitialized] eri_mme_lattice_summation.F: ‘__var_14_matmul.dim[0].ubound’ is used uninitialized in this function [-Wuninitialized] et_coupling_proj.F: Routine INFOG2L called with an implicit interface. extended_system_init.F: Found WRITE statement with hardcoded unit in "init_barostat_variables" farming_methods.F: Found CLOSE statement in procedure "farming_parse_input" farming_methods.F: Found OPEN statement in procedure "farming_parse_input" fparser.F: Found WRITE statement with hardcoded unit in "parseerrmsg" free_energy_methods.F: Found WRITE statement with hardcoded unit in "ui_check_norm_sc" free_energy_methods.F: Found WRITE statement with hardcoded unit in "ui_check_norm_sc_low" free_energy_methods.F: Found WRITE statement with hardcoded unit in "ui_check_trend" glbopt_history.F: Found WRITE statement with hardcoded unit in "verify_history_lookup" glbopt_mincrawl.F: Found WRITE statement with hardcoded unit in "print_tempdist" graph.F: Found CALL RANDOM_SEED in procedure "graph" graph.F: Found WRITE statement with hardcoded unit in "graph" graph_methods.F: Found OPEN statement in procedure "fes_cube_write" graph_methods.F: Found WRITE statement with hardcoded unit in "fes_cube_write" graph_methods.F: Found WRITE statement with hardcoded unit in "fes_min" graph_methods.F: Found WRITE statement with hardcoded unit in "fes_path" graph_utils.F: Found WRITE statement with hardcoded unit in "get_val_res" graphcon.F: Found GOTO statement in procedure "all_permutations" graphcon.F: Found WRITE statement with hardcoded unit in "reorder_graph" grid_integrate.F: Routine INTEGRATE_CORE_0 called with an implicit interface. grid_integrate.F: Routine INTEGRATE_CORE_1 called with an implicit interface. grid_integrate.F: Routine INTEGRATE_CORE_2 called with an implicit interface. grid_integrate.F: Routine INTEGRATE_CORE_3 called with an implicit interface. grid_integrate.F: Routine INTEGRATE_CORE_4 called with an implicit interface. grid_integrate.F: Routine INTEGRATE_CORE_5 called with an implicit interface. grid_integrate.F: Routine INTEGRATE_CORE_6 called with an implicit interface. grid_integrate.F: Routine INTEGRATE_CORE_7 called with an implicit interface. grid_integrate.F: Routine INTEGRATE_CORE_8 called with an implicit interface. grid_integrate.F: Routine INTEGRATE_CORE_9 called with an implicit interface. grid_integrate.F: Routine INTEGRATE_CORE_DEFAULT called with an implicit interface. hfx_compression_methods.F: Found READ with unchecked STAT in "hfx_decompress_cache" hfx_energy_potential.F: Found WRITE statement with hardcoded unit in "print_integrals" input_enumeration_types.F: Found WRITE statement with hardcoded unit in "enum_i2c" input_parsing.F: Found WRITE statement with hardcoded unit in "section_vals_parse" library_tests.F: Found CALL RANDOM_NUMBER in procedure "copy_test" library_tests.F: Found CALL RANDOM_NUMBER in procedure "cp_fm_gemm_test" library_tests.F: Found CALL RANDOM_NUMBER in procedure "fft_test" library_tests.F: Found CALL RANDOM_NUMBER in procedure "rs_pw_transfer_test" library_tests.F: Routine PILAENV called with an implicit interface. machine.F: Found OPEN statement in procedure "m_cpuinfo" machine_internal.F: Found CALL m_abort in procedure "m_getcwd" machine_internal.F: Found CALL m_abort in procedure "m_hostnm" machine_internal.F: Found CALL m_abort in procedure "m_mov" machine_internal.F: Found CLOSE statement in procedure "m_memory_details" machine_internal.F: Found OPEN statement in procedure "m_memory" machine_internal.F: Found OPEN statement in procedure "m_memory_details" machine_internal.F: Found WRITE statement with hardcoded unit in "m_getcwd" machine_internal.F: Found WRITE statement with hardcoded unit in "m_hostnm" machine_internal.F: Found WRITE statement with hardcoded unit in "m_mov" mathlib.F: Found WRITE statement with hardcoded unit in "diag" mc_coordinates.F: Found WRITE statement with hardcoded unit in "generate_cbmc_swap_config" mc_move_control.F: Found WRITE statement with hardcoded unit in "mc_move_update" message_passing.F: Found CALL m_abort in procedure "mp_abort" message_passing.F: Found CLOSE statement in procedure "mp_file_close" message_passing.F: Found OPEN statement in procedure "mp_file_open" message_passing.F: Found STOP statement in procedure "mp_abort" message_passing.F: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) message_passing.F: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) message_passing.F: USE statement at (1) has no ONLY qualifier [-Wuse-without-only] message_passing.f90: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) message_passing.f90: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) message_passing.f90: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) message_passing.f90: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/REAL(8)). message_passing.f90: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/COMPLEX(4)). message_passing.f90: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). mltfftsg_tools.F: Found WRITE statement with hardcoded unit in "ctrig" mm_collocate_potential.F: Routine COLLOCATE_GF_NPBC called with an implicit interface. mm_collocate_potential.F: Routine INTEGRATE_GF_NPBC called with an implicit interface. mode_selective.F: Found READ with unchecked STAT in "bfgs_guess" mp2.F: Found lossy conversion real_4_r8 without KIND argument in "compute_vec_sigma_x_minus_vxc_gw" pao_param_exp.F: Found lossy conversion real_4_r8 without KIND argument in "zheevd_wrapper" parallel_rng_types_unittest.F: Found WRITE statement with hardcoded unit in "dump_reload_check" parallel_rng_types_unittest.F: Found WRITE statement with hardcoded unit in "parallel_rng_types_test" powell.F: Found GOTO statement in procedure "newuob" preconditioner_makes.F: Found WRITE statement with hardcoded unit in "make_full_all" preconditioner_makes.F: Found WRITE statement with hardcoded unit in "make_full_all_ortho" ps_wavelet_base.F: Found WRITE statement with hardcoded unit in "f_poissonsolver" ps_wavelet_base.F: Found WRITE statement with hardcoded unit in "p_poissonsolver" ps_wavelet_base.F: Found WRITE statement with hardcoded unit in "s_poissonsolver" ps_wavelet_fft3d.F: Found WRITE statement with hardcoded unit in "ctrig" ps_wavelet_fft3d.F: Found WRITE statement with hardcoded unit in "fourier_dim" ps_wavelet_kernel.F: Found WRITE statement with hardcoded unit in "indices" ps_wavelet_scaling_function.F: Found WRITE statement with hardcoded unit in "ftest" ps_wavelet_scaling_function.F: Found WRITE statement with hardcoded unit in "scaling_function" ps_wavelet_scaling_function.F: Found WRITE statement with hardcoded unit in "wavelet_function" ps_wavelet_util.F: Found WRITE statement with hardcoded unit in "p_fft_dimensions" ps_wavelet_util.F: Found WRITE statement with hardcoded unit in "s_fft_dimensions" pw_grids.F: Found WRITE statement with hardcoded unit in "pw_grid_sort" qs_external_density.F: Found WRITE statement with hardcoded unit in "external_read_density" qs_fb_env_methods.F: Found CALL cp_fm_gemm in procedure "fb_env_do_diag" qs_fb_filter_matrix_methods.F: Found WRITE statement with hardcoded unit in "fb_fltrmat_build_atomic_fltrmat" qs_gspace_mixing.F: Found WRITE statement with hardcoded unit in "broyden_mixing_new" qs_initial_guess.F: Found WRITE statement with hardcoded unit in "calculate_first_density_matrix" qs_ks_methods.F: Found WRITE statement with hardcoded unit in "calculate_w_matrix_ot" qs_linres_atom_current.F: Found WRITE statement with hardcoded unit in "calculate_jrho_atom_rad" qs_linres_current.F: Found WRITE statement with hardcoded unit in "box_atoms" qs_linres_current.F: Found WRITE statement with hardcoded unit in "box_atoms_new" qs_linres_current.F: Found WRITE statement with hardcoded unit in "calculate_jrho_resp" qs_linres_current.F: Found WRITE statement with hardcoded unit in "collocate_gauge_new" qs_linres_issc_utils.F: Found WRITE statement with hardcoded unit in "issc_issc" qs_linres_op.F: Routine INDXL2G called with an implicit interface. qs_loc_utils.F: Routine PZROT called with an implicit interface. qs_localization_methods.F: Routine PZROT called with an implicit interface. qs_ot.F: Found WRITE statement with hardcoded unit in "qs_ot_generate_rotation" qs_rho_atom_methods.F: Found WRITE statement with hardcoded unit in "init_rho_atom" se_core_matrix.F: Found WRITE statement with hardcoded unit in "aa" se_core_matrix.F: Found WRITE statement with hardcoded unit in "makeds" se_core_matrix.F: Found WRITE statement with hardcoded unit in "makes" se_fock_matrix_coulomb.F: Found WRITE statement with hardcoded unit in "build_fock_matrix_coulomb_lr" se_fock_matrix_dbg.F: Found WRITE statement with hardcoded unit in "dbg_energy_coulomb_lr" semi_empirical_int3_utils.F: Routine EVAL called with an implicit interface. semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dcore_nucint_ana" semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dcorecore_ana" semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_drotnuc_ana" semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dssss_nucint_ana" semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dterep_ana" semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_rotint_ana" semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_rotmat_der" semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_value" semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "rot_2el_2c_first_debug" semi_empirical_int_debug.F: Routine CHECK_VALUE called with an implicit interface. semi_empirical_int_utils.F: Routine EVAL called with an implicit interface. semi_empirical_mpole_methods.F: Found WRITE statement with hardcoded unit in "semi_empirical_mpole_p_setup" spherical_harmonics.F: Found WRITE statement with hardcoded unit in "cgc" spherical_harmonics.F: Found WRITE statement with hardcoded unit in "get_factor" statistical_methods.F: Found WRITE statement with hardcoded unit in "tests" swarm_mpi.F: Found CLOSE statement in procedure "logger_init_master" swarm_mpi.F: Found OPEN statement in procedure "logger_finalize" task_list_methods.F: Found WRITE statement with hardcoded unit in "generate_qs_task_list" timings.F: Found WRITE statement with hardcoded unit in "timestop_handler" tmc_analysis.F: Found WRITE statement with hardcoded unit in "print_average_displacement" tmc_analysis.F: Found WRITE statement with hardcoded unit in "print_dipole_moment" tmc_analysis.F: Found WRITE statement with hardcoded unit in "print_paircorrelation" tmc_cancelation.F: Found WRITE statement with hardcoded unit in "add_to_canceling_list" tmc_dot_tree.F: Found WRITE statement with hardcoded unit in "create_dot_color" tmc_dot_tree.F: Found WRITE statement with hardcoded unit in "create_global_tree_dot_color" tmc_messages.F: Found WRITE statement with hardcoded unit in "read_energy_result_message" tmc_messages.F: Found WRITE statement with hardcoded unit in "tmc_message" topology_constraint_util.F: Found WRITE statement with hardcoded unit in "setup_lcolv" topology_constraint_util.F: Found WRITE statement with hardcoded unit in "setup_lg3x3" topology_constraint_util.F: Found WRITE statement with hardcoded unit in "setup_lg4x6" topology_coordinate_util.F: Found WRITE statement with hardcoded unit in "topology_coordinate_pack" topology_generate_util.F: Found WRITE statement with hardcoded unit in "generate_molname_low" topology_generate_util.F: Found WRITE statement with hardcoded unit in "topology_generate_molecule" topology_gromos.F: Found READ with unchecked STAT in "read_topology_gromos" topology_pdb.F: Found READ with unchecked STAT in "read_coordinate_pdb" xc.F: Found CLOSE statement in procedure "xc_vxc_pw_create_debug" xc.F: Found CLOSE statement in procedure "xc_vxc_pw_create_test_lsd" xc.F: Found OPEN statement in procedure "xc_vxc_pw_create_debug" xc.F: Found OPEN statement in procedure "xc_vxc_pw_create_test_lsd" xc.F: Found WRITE statement with hardcoded unit in "xc_vxc_pw_create_debug" xc.F: Found WRITE statement with hardcoded unit in "xc_vxc_pw_create_test_lsd" xyz2dcd.F: Found CLOSE statement in procedure "xyz2dcd" xyz2dcd.F: Found OPEN statement in procedure "xyz2dcd" xyz2dcd.F: Found STOP statement in procedure "abort_program" xyz2dcd.F: Found STOP statement in procedure "xyz2dcd" xyz2dcd.F: Found WRITE statement with hardcoded unit in "abort_program" xyz2dcd.F: Found WRITE statement with hardcoded unit in "print_help" xyz2dcd.F: Found WRITE statement with hardcoded unit in "xyz2dcd" There are 0 unused suppressions: Found 0 unsuppressed issues: Plot: name="supps", title="Suppressed Convention Violations", ylabel="# suppressions" PlotPoint: name="coding", plot="supps", label="Coding Conventions", y=272, yerr=0 Summary: Found 0 issues (272 suppressed) Status: OK EndDate: 2020-09-19 22:20:36+00:00