StartDate: 2022-09-26 19:05:36+00:00 CpuId: 16x AMD (unknown model) [Zen 3], 7nm CommitSHA: 78096bc50ec3c41c1825630b7cc5ec9938bfc15f CommitTime: 2022-09-26 17:18:35 +0200 CommitAuthor: Matthias Krack CommitSubject: Switch to latest OpenMPI release 4.1.4 Populating docker build cache... done. #################### Building Image cp2k-conventions #################### Dockerfile: /tools/docker/Dockerfile.test_conventions Build-Path: / Build-Args: GIT_COMMIT_SHA=78096bc50ec3c41c1825630b7cc5ec9938bfc15f Sending build context to Docker daemon 364.4MB Step 1/43 : FROM ubuntu:22.04 22.04: Pulling from library/ubuntu 2b55860d4c66: Already exists Digest: sha256:20fa2d7bb4de7723f542be5923b06c4d704370f0390e4ae9e1c833c8785644c1 Status: Downloaded newer image for ubuntu:22.04 ---> 2dc39ba059dc Step 2/43 : WORKDIR /opt/cp2k-toolchain ---> Using cache ---> 32aca1d653b2 Step 3/43 : COPY ./tools/toolchain/install_requirements*.sh ./ ---> Using cache ---> 5488e0d770c9 Step 4/43 : RUN ./install_requirements.sh ubuntu:22.04 ---> Using cache ---> 9b97f4a42a10 Step 5/43 : RUN mkdir scripts ---> Using cache ---> 3f47591c8c04 Step 6/43 : COPY ./tools/toolchain/scripts/VERSION ./tools/toolchain/scripts/parse_if.py ./tools/toolchain/scripts/tool_kit.sh ./tools/toolchain/scripts/common_vars.sh ./tools/toolchain/scripts/signal_trap.sh ./tools/toolchain/scripts/get_openblas_arch.sh ./scripts/ ---> Using cache ---> f5d5b423007f Step 7/43 : COPY ./tools/toolchain/install_cp2k_toolchain.sh . ---> Using cache ---> da2f1245b58e Step 8/43 : RUN ./install_cp2k_toolchain.sh --install-all --mpi-mode=mpich --with-gcc=system --dry-run ---> Using cache ---> cc4540c1180f Step 9/43 : COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/ ---> Using cache ---> 2d3149fd2e45 Step 10/43 : RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build ---> Using cache ---> ea17988a0310 Step 11/43 : COPY ./tools/toolchain/scripts/stage1/ ./scripts/stage1/ ---> Using cache ---> 7a261da7476e Step 12/43 : RUN ./scripts/stage1/install_stage1.sh && rm -rf ./build ---> Using cache ---> 2690f7bf0387 Step 13/43 : COPY ./tools/toolchain/scripts/stage2/ ./scripts/stage2/ ---> Using cache ---> 3258a061d5ad Step 14/43 : RUN ./scripts/stage2/install_stage2.sh && rm -rf ./build ---> Using cache ---> 6fa713cbcb97 Step 15/43 : COPY ./tools/toolchain/scripts/stage3/ ./scripts/stage3/ ---> Using cache ---> 7adaa81a7e09 Step 16/43 : RUN ./scripts/stage3/install_stage3.sh && rm -rf ./build ---> Using cache ---> f30d2f55f493 Step 17/43 : COPY ./tools/toolchain/scripts/stage4/ ./scripts/stage4/ ---> Using cache ---> 724c7c2e5bcf Step 18/43 : RUN ./scripts/stage4/install_stage4.sh && rm -rf ./build ---> Using cache ---> 25b0577f7073 Step 19/43 : COPY ./tools/toolchain/scripts/stage5/ ./scripts/stage5/ ---> Using cache ---> 22bcf1395fd6 Step 20/43 : RUN ./scripts/stage5/install_stage5.sh && rm -rf ./build ---> Using cache ---> 3e3da33150e3 Step 21/43 : COPY ./tools/toolchain/scripts/stage6/ ./scripts/stage6/ ---> Using cache ---> a0f63fb24dd8 Step 22/43 : RUN ./scripts/stage6/install_stage6.sh && rm -rf ./build ---> Using cache ---> df66734e7333 Step 23/43 : COPY ./tools/toolchain/scripts/stage7/ ./scripts/stage7/ ---> Using cache ---> 2943b34c5893 Step 24/43 : RUN ./scripts/stage7/install_stage7.sh && rm -rf ./build ---> Using cache ---> 590ed8ac17ef Step 25/43 : COPY ./tools/toolchain/scripts/stage8/ ./scripts/stage8/ ---> Using cache ---> 8529b3511a97 Step 26/43 : RUN ./scripts/stage8/install_stage8.sh && rm -rf ./build ---> Using cache ---> 727be55761f1 Step 27/43 : COPY ./tools/toolchain/scripts/arch_base.tmpl ./tools/toolchain/scripts/generate_arch_files.sh ./scripts/ ---> Using cache ---> a0d2df1d1079 Step 28/43 : RUN ./scripts/generate_arch_files.sh && rm -rf ./build ---> Using cache ---> 3eeaefbae945 Step 29/43 : WORKDIR /opt/cp2k ---> Using cache ---> 15801dba56d5 Step 30/43 : COPY ./Makefile . ---> Using cache ---> 240432497ecd Step 31/43 : COPY ./src ./src ---> Using cache ---> ef5d219b0bba Step 32/43 : COPY ./exts ./exts ---> Using cache ---> 4f66e51747ee Step 33/43 : COPY ./tools/build_utils ./tools/build_utils ---> Using cache ---> fa3c70a07f22 Step 34/43 : RUN /bin/bash -c " mkdir -p arch && ln -vs /opt/cp2k-toolchain/install/arch/local_warn.psmp ./arch/ && echo 'Compiling cp2k...' && source /opt/cp2k-toolchain/install/setup && ( make -j ARCH=local_warn VERSION=psmp &> /dev/null || true ) && ( [ ! -f ./exe/local_warn/cp2k.psmp ] || ldd ./exe/local_warn/cp2k.psmp | grep -q libmpi )" ---> Running in 1b871d94f988 './arch/local_warn.psmp' -> '/opt/cp2k-toolchain/install/arch/local_warn.psmp' Compiling cp2k... Removing intermediate container 1b871d94f988 ---> 185fdf487c44 Step 35/43 : COPY ./data ./data ---> 1e4889b44571 Step 36/43 : COPY ./tests ./tests ---> bc54b3af74b3 Step 37/43 : COPY ./tools/regtesting ./tools/regtesting ---> 129e980835b6 Step 38/43 : COPY ./arch/Linux-x86-64-gfortran.dumpast ./arch/ ---> 604f177dc438 Step 39/43 : COPY ./tools/conventions ./tools/conventions ---> 11080cf2c567 Step 40/43 : WORKDIR ./tools/conventions ---> Running in 779acbf35f3e Removing intermediate container 779acbf35f3e ---> f2d9ce684a9e Step 41/43 : RUN /bin/bash -ec " source /opt/cp2k-toolchain/install/setup && ./test_conventions.sh |& tee report.log" ---> Running in e2e8bca34552 Date: 2022-09-26 19:17:04+00:00 WARNING: /opt/cp2k/tools/build_utils/get_revision_number failed to determine the Git commit and no REVISION file available Discovering programs ... WARNING: /opt/cp2k/tools/build_utils/get_revision_number failed to determine the Git commit and no REVISION file available WARNING: /opt/cp2k/tools/build_utils/get_revision_number failed to determine the Git commit and no REVISION file available ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/exts/dbcsr/libdbcsr.a WARNING: /opt/cp2k/tools/build_utils/get_revision_number failed to determine the Git commit and no REVISION file available ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kgridcommon.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kgridcpu.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kgpu.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kfpga.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kgridref.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kbase.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2koffload.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kmpiwrap.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kfft.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kmetadyn_tools.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kdbm.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kminimax.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kcommon.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libdbcsrx.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2ktas.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kinput.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libdbcsrarnoldi.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kfm.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kao.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kshg_int.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2khfxbase.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2ksubsys.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kdbt.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kgrid.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kpw_env.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kpw.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kxc.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2keri_mme.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kthermostat.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kemd.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kmain.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2ktmc.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kswarm.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kmotion.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kmc.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kstart.a WARNING: /opt/cp2k/tools/build_utils/get_revision_number failed to determine the Git commit and no REVISION file available Discovering programs ... WARNING: /opt/cp2k/tools/build_utils/get_revision_number failed to determine the Git commit and no REVISION file available WARNING: /opt/cp2k/tools/build_utils/get_revision_number failed to determine the Git commit and no REVISION file available WARNING: /opt/cp2k/tools/build_utils/get_revision_number failed to determine the Git commit and no REVISION file available Suppressed entries: 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" cg_test.F: Found WRITE statement with hardcoded unit in "clebsch_gordon_test" cp_dbcsr_cholesky.F: Procedure 'pdcopy' called with an implicit interface at (1) [-Wimplicit-interface] cp_dbcsr_cholesky.F: Procedure 'pdpotrf' called with an implicit interface at (1) [-Wimplicit-interface] cp_dbcsr_cholesky.F: Procedure 'pdpotri' called with an implicit interface at (1) [-Wimplicit-interface] cp_dbcsr_cholesky.F: Procedure 'pdtrmm' called with an implicit interface at (1) [-Wimplicit-interface] cp_dbcsr_cholesky.F: Procedure 'pdtrsm' called with an implicit interface at (1) [-Wimplicit-interface] cp_dbcsr_cholesky.F: Procedure 'pscopy' called with an implicit interface at (1) [-Wimplicit-interface] cp_dbcsr_cholesky.F: Procedure 'pspotrf' called with an implicit interface at (1) [-Wimplicit-interface] cp_dbcsr_cholesky.F: Procedure 'pspotri' called with an implicit interface at (1) [-Wimplicit-interface] cp_dbcsr_cholesky.F: Procedure 'pstrmm' called with an implicit interface at (1) [-Wimplicit-interface] cp_dbcsr_cholesky.F: Procedure 'pstrsm' called with an implicit interface at (1) [-Wimplicit-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_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_log_handling.F: Found WRITE statement with hardcoded unit in "cp_real_dp_to_string" 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" et_coupling_proj.F: Procedure 'infog2l' called with an implicit interface at (1) [-Wimplicit-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" 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: Procedure 'pilaenv' called with an implicit interface at (1) [-Wimplicit-interface] machine.F: Found CALL m_abort in procedure "m_getcwd" machine.F: Found CALL m_abort in procedure "m_hostnm" machine.F: Found CALL m_abort in procedure "m_mov" machine.F: Found CLOSE statement in procedure "m_memory_details" machine.F: Found OPEN statement in procedure "m_cpuinfo" machine.F: Found OPEN statement in procedure "m_memory" machine.F: Found OPEN statement in procedure "m_memory_details" machine.F: Found WRITE statement with hardcoded unit in "m_getcwd" machine.F: Found WRITE statement with hardcoded unit in "m_hostnm" machine.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" memory_utilities_unittest.F: Found WRITE statement with hardcoded unit in "check_real_rank1_allocated" memory_utilities_unittest.F: Found WRITE statement with hardcoded unit in "check_real_rank1_unallocated" memory_utilities_unittest.F: Found WRITE statement with hardcoded unit in "check_real_rank2_allocated" memory_utilities_unittest.F: Found WRITE statement with hardcoded unit in "check_real_rank2_unallocated" memory_utilities_unittest.F: Found WRITE statement with hardcoded unit in "check_string_rank1_allocated" memory_utilities_unittest.F: Found WRITE statement with hardcoded unit in "check_string_rank1_unallocated" 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) (scalar and rank-1) message_passing.F: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). message_passing.F: USE statement at (1) has no ONLY qualifier [-Wuse-without-only] message_passing.fypp: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) message_passing.fypp: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) message_passing.fypp: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-3) message_passing.fypp: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-4) message_passing.fypp: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/COMPLEX(4)). mltfftsg_tools.F: Found WRITE statement with hardcoded unit in "ctrig" mode_selective.F: Found READ with unchecked STAT in "bfgs_guess" pao_param_exp.F: Found lossy conversion real_4_r8 without KIND argument in "zheevd_wrapper" parallel_gemm_api.F: Found CALL cp_fm_gemm in procedure "parallel_gemm_fm" 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" parallel_rng_types_unittest.F: Found WRITE statement with hardcoded unit in "shuffle_check" 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_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: Procedure 'indxl2g' called with an implicit interface at (1) [-Wimplicit-interface] qs_loc_utils.F: Procedure 'pzrot' called with an implicit interface at (1) [-Wimplicit-interface] qs_localization_methods.F: Procedure 'pzrot' called with an implicit interface at (1) [-Wimplicit-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_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: Procedure 'check_value' called with an implicit interface at (1) [-Wimplicit-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=213, yerr=0 Summary: Found 0 issues (213 suppressed) Status: OK Removing intermediate container e2e8bca34552 ---> 564e1f3e4210 Step 42/43 : CMD cat $(find ./report.log -mmin +10) | sed '/^Summary:/ s/$/ (cached)/' ---> Running in 5ae77343ef47 Removing intermediate container 5ae77343ef47 ---> ecea3926f197 Step 43/43 : ENTRYPOINT [] ---> Running in 4b42a0000fff Removing intermediate container 4b42a0000fff ---> ef305a9f864d [Warning] One or more build-args [GIT_COMMIT_SHA] were not consumed Successfully built ef305a9f864d Successfully tagged gcr.io/cp2k-org-project/img_cp2k-conventions-arch-668:master Pushing new image... done. #################### Running Image cp2k-conventions #################### EndDate: 2022-09-26 19:24:50+00:00