StartDate: 2024-04-25 06:04:29+00:00 CpuId: 32x AMD EPYC (3rd Gen) (Milan) [Zen 3], 7nm (SMT disabled) CommitSHA: ccc2433b8a9524413106673a5780a6119930d134 CommitTime: 2024-04-24 10:10:04 +0200 CommitAuthor: Cristian Le CommitSubject: Synchronize with Fedora downstream #################### Building Image cp2k-conventions #################### Dockerfile: /tools/docker/Dockerfile.test_conventions Build-Path: / Build-Args: GIT_COMMIT_SHA=ccc2433b8a9524413106673a5780a6119930d134 Build-Cache: Yes Populating docker build cache... done. DEPRECATED: The legacy builder is deprecated and will be removed in a future release. BuildKit is currently disabled; enable it by removing the DOCKER_BUILDKIT=0 environment-variable. Sending build context to Docker daemon 394.2MB Step 1/38 : FROM ubuntu:22.04 22.04: Pulling from library/ubuntu 3c645031de29: Pulling fs layer 3c645031de29: Verifying Checksum 3c645031de29: Download complete 3c645031de29: Pull complete Digest: sha256:1b8d8ff4777f36f19bfe73ee4df61e3a0b789caeff29caa019539ec7c9a57f95 Status: Downloaded newer image for ubuntu:22.04 ---> 7af9ba4f0a47 Step 2/38 : WORKDIR /opt/cp2k-toolchain ---> Using cache ---> 9dd3c38d749f Step 3/38 : COPY ./tools/toolchain/install_requirements*.sh ./ ---> Using cache ---> 85614924da4a Step 4/38 : RUN ./install_requirements.sh ubuntu:22.04 ---> Using cache ---> 7aff2b7aa738 Step 5/38 : RUN mkdir scripts ---> Using cache ---> 396b1dbd6ede Step 6/38 : 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 ---> 647732b64fd5 Step 7/38 : COPY ./tools/toolchain/install_cp2k_toolchain.sh . ---> Using cache ---> 55700dee0a5a Step 8/38 : RUN ./install_cp2k_toolchain.sh --install-all --with-gcc=system --dry-run ---> Using cache ---> 53d4008825ec Step 9/38 : COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/ ---> Using cache ---> b7ed63d2aec8 Step 10/38 : RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build ---> Using cache ---> ba960a28d000 Step 11/38 : COPY ./tools/toolchain/scripts/stage1/ ./scripts/stage1/ ---> Using cache ---> 5e0dd371d8da Step 12/38 : RUN ./scripts/stage1/install_stage1.sh && rm -rf ./build ---> Using cache ---> b6411bdd5988 Step 13/38 : COPY ./tools/toolchain/scripts/stage2/ ./scripts/stage2/ ---> Using cache ---> a337dd578665 Step 14/38 : RUN ./scripts/stage2/install_stage2.sh && rm -rf ./build ---> Using cache ---> a805edf5d445 Step 15/38 : COPY ./tools/toolchain/scripts/stage3/ ./scripts/stage3/ ---> Using cache ---> 89c3fab60b10 Step 16/38 : RUN ./scripts/stage3/install_stage3.sh && rm -rf ./build ---> Using cache ---> 11ede4addb4c Step 17/38 : COPY ./tools/toolchain/scripts/stage4/ ./scripts/stage4/ ---> Using cache ---> 28d01e379245 Step 18/38 : RUN ./scripts/stage4/install_stage4.sh && rm -rf ./build ---> Using cache ---> 432ae994d46f Step 19/38 : COPY ./tools/toolchain/scripts/stage5/ ./scripts/stage5/ ---> Using cache ---> aa3695fb1a8a Step 20/38 : RUN ./scripts/stage5/install_stage5.sh && rm -rf ./build ---> Using cache ---> 2385437ba30d Step 21/38 : COPY ./tools/toolchain/scripts/stage6/ ./scripts/stage6/ ---> Using cache ---> 4685adec5782 Step 22/38 : RUN ./scripts/stage6/install_stage6.sh && rm -rf ./build ---> Using cache ---> 674dc76d3f32 Step 23/38 : COPY ./tools/toolchain/scripts/stage7/ ./scripts/stage7/ ---> Using cache ---> 6c4c173b9e95 Step 24/38 : RUN ./scripts/stage7/install_stage7.sh && rm -rf ./build ---> Using cache ---> 0fc7748b4417 Step 25/38 : COPY ./tools/toolchain/scripts/stage8/ ./scripts/stage8/ ---> Using cache ---> 9fa587a25969 Step 26/38 : RUN ./scripts/stage8/install_stage8.sh && rm -rf ./build ---> Using cache ---> 8c29182e6730 Step 27/38 : COPY ./tools/toolchain/scripts/arch_base.tmpl ./tools/toolchain/scripts/generate_arch_files.sh ./scripts/ ---> Using cache ---> d8c873bcf1f1 Step 28/38 : RUN ./scripts/generate_arch_files.sh && rm -rf ./build ---> Using cache ---> be592f46c58c Step 29/38 : WORKDIR /opt/cp2k ---> Using cache ---> fc80e5d7491a Step 30/38 : COPY ./Makefile . ---> Using cache ---> cc5d4be5f317 Step 31/38 : COPY ./src ./src ---> Using cache ---> b79db20fbb4a Step 32/38 : COPY ./exts ./exts ---> Using cache ---> 3605a48759b9 Step 33/38 : COPY ./tools/build_utils ./tools/build_utils ---> Using cache ---> 8a564ba7f251 Step 34/38 : COPY ./tools/conventions ./tools/conventions ---> d894c73671df Step 35/38 : COPY ./arch/Linux-x86-64-gfortran.dumpast ./arch/ ---> 6703dd490a1f Step 36/38 : RUN /bin/bash -ec " ln -vs /opt/cp2k-toolchain/install/arch/local_warn.psmp ./arch/ && source /opt/cp2k-toolchain/install/setup && ./tools/conventions/test_conventions.sh |& tee report.log && rm -rf lib obj exe" ---> Running in a0ecbdec9370 './arch/local_warn.psmp' -> '/opt/cp2k-toolchain/install/arch/local_warn.psmp' Date: 2024-04-25 06:07:42+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 cmp: /opt/cp2k/obj/git-ref: No such file or directory ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kgridcommon.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/libcp2kgriddgemm.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kgridref.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kgridcpu.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/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/libcp2kmpiwrap.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kminimax.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kdbm.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/libcp2khfxbase.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libdbcsrarnoldi.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/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/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/libcp2kmc.a ar: creating /opt/cp2k/lib/Linux-x86-64-gfortran/dumpast/libcp2kmotion.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 ar: creating /opt/cp2k/lib/local_warn/psmp/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/local_warn/psmp/libcp2kgpu.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kfpga.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kgridcommon.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kbase.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kgriddgemm.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kgridref.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2koffload.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kgridcpu.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kfft.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kmetadyn_tools.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kdbm.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kmpiwrap.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kminimax.a ar: creating /opt/cp2k/lib/local_warn/psmp/libdbcsrx.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kcommon.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kinput.a ar: creating /opt/cp2k/lib/local_warn/psmp/libdbcsrarnoldi.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2ktas.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kfm.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kao.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kshg_int.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2ksubsys.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kgrid.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kdbt.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kpw_env.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kpw.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2khfxbase.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2keri_mme.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kxc.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kthermostat.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kemd.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kmain.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2ktmc.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kswarm.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kmc.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kmotion.a ar: creating /opt/cp2k/lib/local_warn/psmp/libcp2kstart.a Suppressed entries: al_system_dynamics.F: Found WRITE statement with hardcoded unit in "dump_vel" https://cp2k.org/conv#c012 almo_scf.F: Found WRITE statement with hardcoded unit in "almo_scf_init" https://cp2k.org/conv#c012 base_hooks.F: Found CALL m_abort in procedure "cp_abort" https://cp2k.org/conv#c102 base_hooks.F: Found STOP statement in procedure "cp__a" https://cp2k.org/conv#c205 base_hooks.F: Found STOP statement in procedure "cp__b" https://cp2k.org/conv#c205 base_hooks.F: Found STOP statement in procedure "cp_abort" https://cp2k.org/conv#c205 base_hooks.F: Found WRITE statement with hardcoded unit in "cp_abort" https://cp2k.org/conv#c012 base_hooks.F: Found WRITE statement with hardcoded unit in "cp_hint" https://cp2k.org/conv#c012 base_hooks.F: Found WRITE statement with hardcoded unit in "cp_warn" https://cp2k.org/conv#c012 beta_gamma_psi.F: Found GOTO statement in procedure "bratio" https://cp2k.org/conv#c201 bfgs_optimizer.F: Found GOTO statement in procedure "rat_fun_opt" https://cp2k.org/conv#c201 cg_test.F: Found WRITE statement with hardcoded unit in "clebsch_gordon_test" https://cp2k.org/conv#c012 cp_dbcsr_operations.F: Found CALL cp_fm_gemm in procedure "cp_dbcsr_plus_fm_fm_t" https://cp2k.org/conv#c101 cp_dbcsr_operations.F: Found WRITE statement with hardcoded unit in "cp_dbcsr_plus_fm_fm_t" https://cp2k.org/conv#c012 cp_dbcsr_operations.F: Found WRITE statement with hardcoded unit in "create_bl_distribution" https://cp2k.org/conv#c012 cp_dbcsr_operations.F: Found WRITE statement with hardcoded unit in "dbcsr_create_dist_block_cyclic" https://cp2k.org/conv#c012 cp_ddapc_util.F: Found WRITE statement with hardcoded unit in "debug_charge" https://cp2k.org/conv#c012 cp_ddapc_util.F: Found WRITE statement with hardcoded unit in "debug_der_a_matrix" https://cp2k.org/conv#c012 cp_ddapc_util.F: Found WRITE statement with hardcoded unit in "debug_der_b_vector" https://cp2k.org/conv#c012 cp_error_handling.F: Found CALL mp_abort in procedure "cp_abort_handler" https://cp2k.org/conv#c103 cp_files.F: Found CLOSE statement in procedure "close_file" https://cp2k.org/conv#c204 cp_files.F: Found OPEN statement in procedure "open_file" https://cp2k.org/conv#c203 cp_fm_basic_linalg.F: Found CALL cp_fm_gemm in procedure "cp_complex_fm_gemm" https://cp2k.org/conv#c101 cp_fm_diag.F: Found CALL cp_fm_gemm in procedure "cp_fm_geeig_canon" https://cp2k.org/conv#c101 cp_lbfgs.F: Found WRITE statement with hardcoded unit in "active" https://cp2k.org/conv#c012 cp_lbfgs.F: Found WRITE statement with hardcoded unit in "cauchy" https://cp2k.org/conv#c012 cp_lbfgs.F: Found WRITE statement with hardcoded unit in "freev" https://cp2k.org/conv#c012 cp_lbfgs.F: Found WRITE statement with hardcoded unit in "lnsrlb" https://cp2k.org/conv#c012 cp_lbfgs.F: Found WRITE statement with hardcoded unit in "mainlb" https://cp2k.org/conv#c012 cp_lbfgs.F: Found WRITE statement with hardcoded unit in "prn1lb" https://cp2k.org/conv#c012 cp_lbfgs.F: Found WRITE statement with hardcoded unit in "prn2lb" https://cp2k.org/conv#c012 cp_lbfgs.F: Found WRITE statement with hardcoded unit in "prn3lb" https://cp2k.org/conv#c012 cp_lbfgs.F: Found WRITE statement with hardcoded unit in "subsm" https://cp2k.org/conv#c012 cp_log_handling.F: Found WRITE statement with hardcoded unit in "cp_int_to_string" https://cp2k.org/conv#c012 cp_log_handling.F: Found WRITE statement with hardcoded unit in "cp_logger_get_default_unit_nr" https://cp2k.org/conv#c012 cp_log_handling.F: Found WRITE statement with hardcoded unit in "cp_real_dp_to_string" https://cp2k.org/conv#c012 cp_parser_inpp_methods.F: Found READ with unchecked STAT in "inpp_process_directive" https://cp2k.org/conv#c001 cube_utils.F: Found WRITE statement with hardcoded unit in "return_cube_nonortho" https://cp2k.org/conv#c012 d3_poly.F: Found CALL RANDOM_NUMBER in procedure "poly_random" https://cp2k.org/conv#c104 dkh_main.F: Found WRITE statement with hardcoded unit in "kintegral" https://cp2k.org/conv#c012 dkh_main.F: Found WRITE statement with hardcoded unit in "kintegral_a" https://cp2k.org/conv#c012 dm_ls_scf_types.F: Found type ls_scf_env_type without initializer https://cp2k.org/conv#c016 domain_submatrix_methods.F: Found WRITE statement with hardcoded unit in "print_submatrices" https://cp2k.org/conv#c012 dumpdcd.F: Found CLOSE statement in procedure "dumpdcd" https://cp2k.org/conv#c204 dumpdcd.F: Found OPEN statement in procedure "dumpdcd" https://cp2k.org/conv#c203 dumpdcd.F: Found STOP statement in procedure "abort_program" https://cp2k.org/conv#c205 dumpdcd.F: Found STOP statement in procedure "dumpdcd" https://cp2k.org/conv#c205 dumpdcd.F: Found WRITE statement with hardcoded unit in "abort_program" https://cp2k.org/conv#c012 dumpdcd.F: Found WRITE statement with hardcoded unit in "print_help" https://cp2k.org/conv#c012 eip_silicon.F: Found OPEN statement in procedure "eip_bazant_silicon" https://cp2k.org/conv#c203 eip_silicon.F: Found OPEN statement in procedure "eip_lenosky_silicon" https://cp2k.org/conv#c203 eip_silicon.F: Found WRITE statement with hardcoded unit in "eip_bazant_silicon" https://cp2k.org/conv#c012 eip_silicon.F: Found WRITE statement with hardcoded unit in "eip_lenosky_silicon" https://cp2k.org/conv#c012 eip_silicon.F: Found WRITE statement with hardcoded unit in "subfeniat_b" https://cp2k.org/conv#c012 eip_silicon.F: Found WRITE statement with hardcoded unit in "subfeniat_l" https://cp2k.org/conv#c012 ewald_environment_types.F: Found type ewald_environment_type without initializer https://cp2k.org/conv#c016 exclusion_types.F: Found type exclusion_type without initializer https://cp2k.org/conv#c016 exstates_types.F: Found type excited_energy_type without initializer https://cp2k.org/conv#c016 exstates_types.F: Found type wfn_history_type without initializer https://cp2k.org/conv#c016 extended_system_init.F: Found WRITE statement with hardcoded unit in "init_barostat_variables" https://cp2k.org/conv#c012 extended_system_types.F: Found type lnhc_parameters_type without initializer https://cp2k.org/conv#c016 extended_system_types.F: Found type map_info_type without initializer https://cp2k.org/conv#c016 extended_system_types.F: Found type nhc_info_type without initializer https://cp2k.org/conv#c016 extended_system_types.F: Found type npt_info_type without initializer https://cp2k.org/conv#c016 extended_system_types.F: Found type point_info_type without initializer https://cp2k.org/conv#c016 farming_methods.F: Found CLOSE statement in procedure "farming_parse_input" https://cp2k.org/conv#c204 farming_methods.F: Found OPEN statement in procedure "farming_parse_input" https://cp2k.org/conv#c203 farming_types.F: Found type farming_env_type without initializer https://cp2k.org/conv#c016 farming_types.F: Found type job_type without initializer https://cp2k.org/conv#c016 fftw3_lib.F: 'dim_istride' is used uninitialized [-Wuninitialized] fftw3_lib.F: 'dim_n' is used uninitialized [-Wuninitialized] fftw3_lib.F: 'dim_ostride' is used uninitialized [-Wuninitialized] fftw3_lib.F: Same actual argument associated with INTENT(OUT) argument 'in' and INTENT(OUT) argument 'out' at (1) fist_efield_types.F: Found type fist_efield_type without initializer https://cp2k.org/conv#c016 fist_energy_types.F: Found type fist_energy_type without initializer https://cp2k.org/conv#c016 fist_environment_types.F: Found type fist_environment_type without initializer https://cp2k.org/conv#c016 fist_force.F: Found type debug_variables_type without initializer https://cp2k.org/conv#c016 fist_neighbor_list_types.F: Found type fist_neighbor_type without initializer https://cp2k.org/conv#c016 fist_neighbor_list_types.F: Found type neighbor_kind_pairs_type without initializer https://cp2k.org/conv#c016 fist_neighbor_lists.F: Found type local_atoms_type without initializer https://cp2k.org/conv#c016 force_field_types.F: Found type amber_info_type without initializer https://cp2k.org/conv#c016 force_field_types.F: Found type charmm_info_type without initializer https://cp2k.org/conv#c016 force_field_types.F: Found type force_field_type without initializer https://cp2k.org/conv#c016 force_field_types.F: Found type gromos_info_type without initializer https://cp2k.org/conv#c016 force_field_types.F: Found type input_info_type without initializer https://cp2k.org/conv#c016 fp_types.F: Found type fp_type without initializer https://cp2k.org/conv#c016 fparser.F: Found WRITE statement with hardcoded unit in "parseerrmsg" https://cp2k.org/conv#c012 free_energy_methods.F: Found WRITE statement with hardcoded unit in "ui_check_norm_sc" https://cp2k.org/conv#c012 free_energy_methods.F: Found WRITE statement with hardcoded unit in "ui_check_norm_sc_low" https://cp2k.org/conv#c012 free_energy_methods.F: Found WRITE statement with hardcoded unit in "ui_check_trend" https://cp2k.org/conv#c012 free_energy_types.F: Found type free_energy_type without initializer https://cp2k.org/conv#c016 free_energy_types.F: Found type statistical_type without initializer https://cp2k.org/conv#c016 free_energy_types.F: Found type ui_conv_type without initializer https://cp2k.org/conv#c016 free_energy_types.F: Found type ui_var_type without initializer https://cp2k.org/conv#c016 glbopt_history.F: Found WRITE statement with hardcoded unit in "verify_history_lookup" https://cp2k.org/conv#c012 glbopt_mincrawl.F: Found WRITE statement with hardcoded unit in "print_tempdist" https://cp2k.org/conv#c012 gle_system_types.F: Found type gle_thermo_type without initializer https://cp2k.org/conv#c016 gle_system_types.F: Found type gle_type without initializer https://cp2k.org/conv#c016 graph.F: Found CALL RANDOM_SEED in procedure "graph" https://cp2k.org/conv#c105 graph.F: Found WRITE statement with hardcoded unit in "graph" https://cp2k.org/conv#c012 graph_methods.F: Found OPEN statement in procedure "fes_cube_write" https://cp2k.org/conv#c203 graph_methods.F: Found WRITE statement with hardcoded unit in "fes_cube_write" https://cp2k.org/conv#c012 graph_methods.F: Found WRITE statement with hardcoded unit in "fes_min" https://cp2k.org/conv#c012 graph_methods.F: Found WRITE statement with hardcoded unit in "fes_path" https://cp2k.org/conv#c012 graph_utils.F: Found WRITE statement with hardcoded unit in "get_val_res" https://cp2k.org/conv#c012 graphcon.F: Found GOTO statement in procedure "all_permutations" https://cp2k.org/conv#c201 graphcon.F: Found WRITE statement with hardcoded unit in "reorder_graph" https://cp2k.org/conv#c012 graphcon.F: Found type class without initializer https://cp2k.org/conv#c016 graphcon.F: Found type graph_type without initializer https://cp2k.org/conv#c016 graphcon.F: Found type superclass without initializer https://cp2k.org/conv#c016 graphcon.F: Found type vertex without initializer https://cp2k.org/conv#c016 hartree_local_types.F: Found type ecoul_1center_type without initializer https://cp2k.org/conv#c016 hartree_local_types.F: Found type hartree_local_type without initializer https://cp2k.org/conv#c016 hfx_compression_methods.F: Found READ with unchecked STAT in "hfx_decompress_cache" https://cp2k.org/conv#c001 hfx_energy_potential.F: Found WRITE statement with hardcoded unit in "print_integrals" https://cp2k.org/conv#c012 hirshfeld_types.F: Found type hirshfeld_type without initializer https://cp2k.org/conv#c016 hirshfeld_types.F: Found type shape_fn without initializer https://cp2k.org/conv#c016 input_enumeration_types.F: Found WRITE statement with hardcoded unit in "enum_i2c" https://cp2k.org/conv#c012 input_keyword_types.F: Found type keyword_type without initializer https://cp2k.org/conv#c016 input_parsing.F: Found WRITE statement with hardcoded unit in "section_vals_parse" https://cp2k.org/conv#c012 integration_grid_types.F: Found type grid_batch_info_type without initializer https://cp2k.org/conv#c016 integration_grid_types.F: Found type grid_batch_val_1d_type without initializer https://cp2k.org/conv#c016 integration_grid_types.F: Found type grid_batch_val_2d_type without initializer https://cp2k.org/conv#c016 integration_grid_types.F: Found type integration_grid_type without initializer https://cp2k.org/conv#c016 integration_grid_types.F: Found type integration_grid_value_type without initializer https://cp2k.org/conv#c016 integrator_utils.F: Found type old_variables_type without initializer https://cp2k.org/conv#c016 integrator_utils.F: Found type tmp_variables_type without initializer https://cp2k.org/conv#c016 kg_environment_types.F: Found type energy_correction_type without initializer https://cp2k.org/conv#c016 kg_environment_types.F: Found type kg_environment_type without initializer https://cp2k.org/conv#c016 kg_environment_types.F: Found type subset_type without initializer https://cp2k.org/conv#c016 kg_vertex_coloring_methods.F: Found type vertex without initializer https://cp2k.org/conv#c016 kg_vertex_coloring_methods.F: Found type vertex_p_type without initializer https://cp2k.org/conv#c016 kpoint_types.F: Found type kpoint_env_p_type without initializer https://cp2k.org/conv#c016 kpoint_types.F: Found type kpoint_env_type without initializer https://cp2k.org/conv#c016 kpoint_types.F: Found type kpoint_sym_p_type without initializer https://cp2k.org/conv#c016 kpoint_types.F: Found type kpoint_sym_type without initializer https://cp2k.org/conv#c016 kpoint_types.F: Found type kpoint_type without initializer https://cp2k.org/conv#c016 libcp2k.F: Found type eri2array without initializer https://cp2k.org/conv#c016 library_tests.F: Found CALL RANDOM_NUMBER in procedure "copy_test" https://cp2k.org/conv#c104 library_tests.F: Found CALL RANDOM_NUMBER in procedure "cp_fm_gemm_test" https://cp2k.org/conv#c104 library_tests.F: Found CALL RANDOM_NUMBER in procedure "fft_test" https://cp2k.org/conv#c104 library_tests.F: Found CALL RANDOM_NUMBER in procedure "rs_pw_transfer_test" https://cp2k.org/conv#c104 lri_environment_types.F: Found type carray without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type int_container without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type lri_bas_type without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type lri_clebsch_gordon_type without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type lri_environment_type without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type lri_force_type without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type lri_int_rho_type without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type lri_int_type without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type lri_kind_type without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type lri_ppl_int_type without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type lri_ppl_type without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type lri_rhoab_type without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type lri_spin_type without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type ri_fit_type without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type stat_type without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type wbas_type without initializer https://cp2k.org/conv#c016 lri_environment_types.F: Found type wmat_type without initializer https://cp2k.org/conv#c016 lri_optimize_ri_basis_types.F: Found type lri_gcc_p_type without initializer https://cp2k.org/conv#c016 lri_optimize_ri_basis_types.F: Found type lri_opt_type without initializer https://cp2k.org/conv#c016 lri_optimize_ri_basis_types.F: Found type lri_subset_type without initializer https://cp2k.org/conv#c016 machine.F: Found CALL m_abort in procedure "m_getcwd" https://cp2k.org/conv#c102 machine.F: Found CALL m_abort in procedure "m_hostnm" https://cp2k.org/conv#c102 machine.F: Found CALL m_abort in procedure "m_mov" https://cp2k.org/conv#c102 machine.F: Found CLOSE statement in procedure "m_memory_details" https://cp2k.org/conv#c204 machine.F: Found OPEN statement in procedure "m_cpuinfo" https://cp2k.org/conv#c203 machine.F: Found OPEN statement in procedure "m_memory" https://cp2k.org/conv#c203 machine.F: Found OPEN statement in procedure "m_memory_details" https://cp2k.org/conv#c203 machine.F: Found WRITE statement with hardcoded unit in "m_getcwd" https://cp2k.org/conv#c012 machine.F: Found WRITE statement with hardcoded unit in "m_hostnm" https://cp2k.org/conv#c012 machine.F: Found WRITE statement with hardcoded unit in "m_mov" https://cp2k.org/conv#c012 mao_methods.F: Found type mblocks without initializer https://cp2k.org/conv#c016 mao_types.F: Found type mao_type without initializer https://cp2k.org/conv#c016 mathlib.F: Found WRITE statement with hardcoded unit in "diag" https://cp2k.org/conv#c012 mc_coordinates.F: Found WRITE statement with hardcoded unit in "generate_cbmc_swap_config" https://cp2k.org/conv#c012 mc_move_control.F: Found WRITE statement with hardcoded unit in "mc_move_update" https://cp2k.org/conv#c012 mdctrl_types.F: Found type glbopt_mdctrl_data_type without initializer https://cp2k.org/conv#c016 memory_utilities_unittest.F: Found WRITE statement with hardcoded unit in "check_real_rank1_allocated" https://cp2k.org/conv#c012 memory_utilities_unittest.F: Found WRITE statement with hardcoded unit in "check_real_rank1_unallocated" https://cp2k.org/conv#c012 memory_utilities_unittest.F: Found WRITE statement with hardcoded unit in "check_real_rank2_allocated" https://cp2k.org/conv#c012 memory_utilities_unittest.F: Found WRITE statement with hardcoded unit in "check_real_rank2_unallocated" https://cp2k.org/conv#c012 memory_utilities_unittest.F: Found WRITE statement with hardcoded unit in "check_string_rank1_allocated" https://cp2k.org/conv#c012 memory_utilities_unittest.F: Found WRITE statement with hardcoded unit in "check_string_rank1_unallocated" https://cp2k.org/conv#c012 message_passing.F: Found CALL m_abort in procedure "mp_abort" https://cp2k.org/conv#c102 message_passing.F: Found CLOSE statement in procedure "mp_file_close" https://cp2k.org/conv#c204 message_passing.F: Found OPEN statement in procedure "mp_file_open" https://cp2k.org/conv#c203 message_passing.F: Found STOP statement in procedure "mp_abort" https://cp2k.org/conv#c205 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(4)/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)). metadynamics_types.F: Found type hills_env_type without initializer https://cp2k.org/conv#c016 metadynamics_types.F: Found type meta_env_type without initializer https://cp2k.org/conv#c016 metadynamics_types.F: Found type metavar_type without initializer https://cp2k.org/conv#c016 metadynamics_types.F: Found type multiple_walkers_type without initializer https://cp2k.org/conv#c016 metadynamics_types.F: Found type wall_type without initializer https://cp2k.org/conv#c016 mixed_cdft_types.F: Found type buffers without initializer https://cp2k.org/conv#c016 mixed_cdft_types.F: Found type mixed_cdft_dlb_type without initializer https://cp2k.org/conv#c016 mixed_cdft_types.F: Found type mixed_cdft_settings_type without initializer https://cp2k.org/conv#c016 mixed_cdft_types.F: Found type mixed_cdft_type without initializer https://cp2k.org/conv#c016 mixed_cdft_types.F: Found type mixed_cdft_work_type without initializer https://cp2k.org/conv#c016 mixed_cdft_types.F: Found type p_buffers without initializer https://cp2k.org/conv#c016 mixed_cdft_types.F: Found type repl_info without initializer https://cp2k.org/conv#c016 mixed_energy_types.F: Found type mixed_energy_type without initializer https://cp2k.org/conv#c016 mixed_energy_types.F: Found type mixed_force_type without initializer https://cp2k.org/conv#c016 mltfftsg_tools.F: Found WRITE statement with hardcoded unit in "ctrig" https://cp2k.org/conv#c012 mm_mapping_library.F: Found type ff_map_type without initializer https://cp2k.org/conv#c016 mode_selective.F: Found READ with unchecked STAT in "bfgs_guess" https://cp2k.org/conv#c001 mode_selective.F: Found type ms_vib_type without initializer https://cp2k.org/conv#c016 molsym.F: Found type molsym_type without initializer https://cp2k.org/conv#c016 mscfg_types.F: Found type molecular_scf_guess_env_type without initializer https://cp2k.org/conv#c016 negf_atom_map.F: Found type negf_atom_map_type without initializer https://cp2k.org/conv#c016 negf_control_types.F: Found type negf_control_contact_type without initializer https://cp2k.org/conv#c016 negf_control_types.F: Found type negf_control_type without initializer https://cp2k.org/conv#c016 negf_env_types.F: Found type negf_env_contact_type without initializer https://cp2k.org/conv#c016 negf_env_types.F: Found type negf_env_type without initializer https://cp2k.org/conv#c016 negf_green_methods.F: Found type sancho_work_matrices_type without initializer https://cp2k.org/conv#c016 negf_integr_cc.F: Found type ccquad_type without initializer https://cp2k.org/conv#c016 negf_integr_simpson.F: Found type simpsonrule_subinterval_type without initializer https://cp2k.org/conv#c016 negf_integr_simpson.F: Found type simpsonrule_type without initializer https://cp2k.org/conv#c016 negf_methods.F: Found CALL with NULL() as argument in procedure "converge_density" https://cp2k.org/conv#c007 negf_methods.F: Found CALL with NULL() as argument in procedure "guess_fermi_level" https://cp2k.org/conv#c007 negf_methods.F: Found CALL with NULL() as argument in procedure "shift_potential" https://cp2k.org/conv#c007 negf_methods.F: Found type integration_status_type without initializer https://cp2k.org/conv#c016 nequip_unittest.F: Found WRITE statement with hardcoded unit in "nequip_unittest" https://cp2k.org/conv#c012 nnp_environment_types.F: Found type nnp_acsf_ang_type without initializer https://cp2k.org/conv#c016 nnp_environment_types.F: Found type nnp_acsf_rad_type without initializer https://cp2k.org/conv#c016 nnp_environment_types.F: Found type nnp_arc_type without initializer https://cp2k.org/conv#c016 nnp_environment_types.F: Found type nnp_neighbor_type without initializer https://cp2k.org/conv#c016 nnp_environment_types.F: Found type nnp_symfgrp_type without initializer https://cp2k.org/conv#c016 nnp_environment_types.F: Found type nnp_type without initializer https://cp2k.org/conv#c016 optimize_basis_types.F: Found type basis_optimization_type without initializer https://cp2k.org/conv#c016 optimize_basis_types.F: Found type derived_basis_info without initializer https://cp2k.org/conv#c016 optimize_basis_types.F: Found type exp_constraint_type without initializer https://cp2k.org/conv#c016 optimize_basis_types.F: Found type flex_basis_type without initializer https://cp2k.org/conv#c016 optimize_basis_types.F: Found type kind_basis_type without initializer https://cp2k.org/conv#c016 optimize_basis_types.F: Found type subset_type without initializer https://cp2k.org/conv#c016 optimize_input.F: Found type fm_env_type without initializer https://cp2k.org/conv#c016 optimize_input.F: Found type oi_env_type without initializer https://cp2k.org/conv#c016 optimize_input.F: Found type variable_type without initializer https://cp2k.org/conv#c016 outer_scf_control_types.F: Found type outer_scf_control_type without initializer https://cp2k.org/conv#c016 outer_scf_control_types.F: Found type qs_outer_scf_type without initializer https://cp2k.org/conv#c016 parallel_gemm_api.F: Found CALL cp_fm_gemm in procedure "parallel_gemm_fm" https://cp2k.org/conv#c101 parallel_rng_types_unittest.F: Found WRITE statement with hardcoded unit in "dump_reload_check" https://cp2k.org/conv#c012 parallel_rng_types_unittest.F: Found WRITE statement with hardcoded unit in "parallel_rng_types_test" https://cp2k.org/conv#c012 parallel_rng_types_unittest.F: Found WRITE statement with hardcoded unit in "shuffle_check" https://cp2k.org/conv#c012 pexsi_types.F: Found type lib_pexsi_env without initializer https://cp2k.org/conv#c016 powell.F: Found GOTO statement in procedure "newuob" https://cp2k.org/conv#c201 preconditioner_makes.F: Found WRITE statement with hardcoded unit in "make_full_all" https://cp2k.org/conv#c012 preconditioner_makes.F: Found WRITE statement with hardcoded unit in "make_full_all_ortho" https://cp2k.org/conv#c012 preconditioner_types.F: Found type preconditioner_p_type without initializer https://cp2k.org/conv#c016 preconditioner_types.F: Found type preconditioner_type without initializer https://cp2k.org/conv#c016 ps_implicit_methods.F: OMP PARALLEL without DEFAULT(NONE) found in "ps_implicit_prepare_blocks" https://cp2k.org/conv#c006 ps_wavelet_base.F: Found WRITE statement with hardcoded unit in "f_poissonsolver" https://cp2k.org/conv#c012 ps_wavelet_base.F: Found WRITE statement with hardcoded unit in "p_poissonsolver" https://cp2k.org/conv#c012 ps_wavelet_base.F: Found WRITE statement with hardcoded unit in "s_poissonsolver" https://cp2k.org/conv#c012 ps_wavelet_fft3d.F: Found WRITE statement with hardcoded unit in "ctrig" https://cp2k.org/conv#c012 ps_wavelet_fft3d.F: Found WRITE statement with hardcoded unit in "fourier_dim" https://cp2k.org/conv#c012 ps_wavelet_kernel.F: Found WRITE statement with hardcoded unit in "indices" https://cp2k.org/conv#c012 ps_wavelet_scaling_function.F: Found WRITE statement with hardcoded unit in "ftest" https://cp2k.org/conv#c012 ps_wavelet_scaling_function.F: Found WRITE statement with hardcoded unit in "scaling_function" https://cp2k.org/conv#c012 ps_wavelet_scaling_function.F: Found WRITE statement with hardcoded unit in "wavelet_function" https://cp2k.org/conv#c012 ps_wavelet_util.F: Found WRITE statement with hardcoded unit in "p_fft_dimensions" https://cp2k.org/conv#c012 ps_wavelet_util.F: Found WRITE statement with hardcoded unit in "s_fft_dimensions" https://cp2k.org/conv#c012 pw_grids.F: Found WRITE statement with hardcoded unit in "pw_grid_sort" https://cp2k.org/conv#c012 qmmm_gaussian_types.F: Found type qmmm_gaussian_p_type without initializer https://cp2k.org/conv#c016 qmmm_gaussian_types.F: Found type qmmm_gaussian_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type add_env_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type add_set_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type add_shell_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type gridlevel_info_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type image_charge_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type qmmm_env_mm_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type qmmm_env_qm_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type qmmm_imomm_link_p_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type qmmm_imomm_link_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type qmmm_links_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type qmmm_per_pot_p_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type qmmm_per_pot_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type qmmm_pot_p_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type qmmm_pot_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type qmmm_pseudo_link_p_type without initializer https://cp2k.org/conv#c016 qmmm_types_low.F: Found type qmmm_pseudo_link_type without initializer https://cp2k.org/conv#c016 qs_active_space_methods.F: Found type eri_fcidump_checksum without initializer https://cp2k.org/conv#c016 qs_active_space_methods.F: Found type eri_fcidump_print without initializer https://cp2k.org/conv#c016 qs_atomic_block.F: Found type atom_matrix_type without initializer https://cp2k.org/conv#c016 qs_block_davidson_types.F: Found type davidson_type without initializer https://cp2k.org/conv#c016 qs_cdft_opt_types.F: Found type cdft_opt_type without initializer https://cp2k.org/conv#c016 qs_cdft_types.F: Found type becke_constraint_type without initializer https://cp2k.org/conv#c016 qs_cdft_types.F: Found type becke_vector_buffer without initializer https://cp2k.org/conv#c016 qs_cdft_types.F: Found type cdft_control_type without initializer https://cp2k.org/conv#c016 qs_cdft_types.F: Found type cdft_group_type without initializer https://cp2k.org/conv#c016 qs_cdft_types.F: Found type hirshfeld_constraint_type without initializer https://cp2k.org/conv#c016 qs_charges_types.F: Found type qs_charges_type without initializer https://cp2k.org/conv#c016 qs_density_mixing_types.F: Found type cp_1d_z_p_type without initializer https://cp2k.org/conv#c016 qs_density_mixing_types.F: Found type mixing_storage_type without initializer https://cp2k.org/conv#c016 qs_dftb_types.F: Found type qs_dftb_atom_type without initializer https://cp2k.org/conv#c016 qs_dftb_types.F: Found type qs_dftb_pairpot_type without initializer https://cp2k.org/conv#c016 qs_dispersion_pairpot.F: Found type dcnum_type without initializer https://cp2k.org/conv#c016 qs_dispersion_types.F: Found type cn_atom_list without initializer https://cp2k.org/conv#c016 qs_dispersion_types.F: Found type cn_kind_list without initializer https://cp2k.org/conv#c016 qs_dispersion_types.F: Found type qs_atom_dispersion_type without initializer https://cp2k.org/conv#c016 qs_dispersion_types.F: Found type qs_dispersion_type without initializer https://cp2k.org/conv#c016 qs_energy_types.F: Found type qs_energy_type without initializer https://cp2k.org/conv#c016 qs_environment_types.F: Found type qs_environment_type without initializer https://cp2k.org/conv#c016 qs_external_density.F: Found WRITE statement with hardcoded unit in "external_read_density" https://cp2k.org/conv#c012 qs_fb_atomic_halo_types.F: Found type fb_atomic_halo_data without initializer https://cp2k.org/conv#c016 qs_fb_atomic_halo_types.F: Found type fb_atomic_halo_list_data without initializer https://cp2k.org/conv#c016 qs_fb_atomic_halo_types.F: Found type fb_atomic_halo_list_obj without initializer https://cp2k.org/conv#c016 qs_fb_atomic_halo_types.F: Found type fb_atomic_halo_obj without initializer https://cp2k.org/conv#c016 qs_fb_buffer_types.F: Found type fb_buffer_d_data without initializer https://cp2k.org/conv#c016 qs_fb_buffer_types.F: Found type fb_buffer_i_data without initializer https://cp2k.org/conv#c016 qs_fb_com_tasks_types.F: Found type fb_com_atom_pairs_data without initializer https://cp2k.org/conv#c016 qs_fb_com_tasks_types.F: Found type fb_com_atom_pairs_obj without initializer https://cp2k.org/conv#c016 qs_fb_com_tasks_types.F: Found type fb_com_tasks_data without initializer https://cp2k.org/conv#c016 qs_fb_com_tasks_types.F: Found type fb_com_tasks_obj without initializer https://cp2k.org/conv#c016 qs_fb_distribution_methods.F: Found type fb_distribution_element without initializer https://cp2k.org/conv#c016 qs_fb_distribution_methods.F: Found type fb_distribution_list without initializer https://cp2k.org/conv#c016 qs_fb_distribution_methods.F: Found type fb_preferred_procs_list without initializer https://cp2k.org/conv#c016 qs_fb_env_methods.F: Found CALL cp_fm_gemm in procedure "fb_env_do_diag" https://cp2k.org/conv#c101 qs_fb_env_types.F: Found type fb_env_data without initializer https://cp2k.org/conv#c016 qs_fb_env_types.F: Found type fb_env_obj without initializer https://cp2k.org/conv#c016 qs_fb_filter_matrix_methods.F: Found WRITE statement with hardcoded unit in "fb_fltrmat_build_atomic_fltrmat" https://cp2k.org/conv#c012 qs_fb_hash_table_types.F: Found type fb_hash_table_data without initializer https://cp2k.org/conv#c016 qs_fb_hash_table_types.F: Found type fb_hash_table_element without initializer https://cp2k.org/conv#c016 qs_fb_matrix_data_types.F: Found type fb_matrix_data_data without initializer https://cp2k.org/conv#c016 qs_fb_trial_fns_types.F: Found type fb_trial_fns_data without initializer https://cp2k.org/conv#c016 qs_fb_trial_fns_types.F: Found type fb_trial_fns_obj without initializer https://cp2k.org/conv#c016 qs_force_types.F: Found type qs_force_type without initializer https://cp2k.org/conv#c016 qs_gcp_types.F: Found type qs_gcp_kind_type without initializer https://cp2k.org/conv#c016 qs_gcp_types.F: Found type qs_gcp_type without initializer https://cp2k.org/conv#c016 qs_grid_atom.F: Found type atom_integration_grid_type without initializer https://cp2k.org/conv#c016 qs_grid_atom.F: Found type grid_atom_type without initializer https://cp2k.org/conv#c016 qs_grid_atom.F: Found type grid_batch_type without initializer https://cp2k.org/conv#c016 qs_harmonics_atom.F: Found type harmonics_atom_type without initializer https://cp2k.org/conv#c016 qs_initial_guess.F: Found WRITE statement with hardcoded unit in "calculate_first_density_matrix" https://cp2k.org/conv#c012 qs_initial_guess.F: Found type atom_matrix_type without initializer https://cp2k.org/conv#c016 qs_kernel_types.F: Found type full_kernel_env_type without initializer https://cp2k.org/conv#c016 qs_kind_types.F: Found type dft_plus_u_type without initializer https://cp2k.org/conv#c016 qs_kind_types.F: Found type qs_kind_p_type without initializer https://cp2k.org/conv#c016 qs_ks_qmmm_types.F: Found type qs_ks_qmmm_env_type without initializer https://cp2k.org/conv#c016 qs_linres_atom_current.F: Found WRITE statement with hardcoded unit in "calculate_jrho_atom_rad" https://cp2k.org/conv#c012 qs_linres_current.F: Found WRITE statement with hardcoded unit in "box_atoms" https://cp2k.org/conv#c012 qs_linres_current.F: Found WRITE statement with hardcoded unit in "box_atoms_new" https://cp2k.org/conv#c012 qs_linres_current.F: Found WRITE statement with hardcoded unit in "calculate_jrho_resp" https://cp2k.org/conv#c012 qs_linres_current.F: Found WRITE statement with hardcoded unit in "collocate_gauge_new" https://cp2k.org/conv#c012 qs_linres_current.F: Found type box_type without initializer https://cp2k.org/conv#c016 qs_linres_issc_utils.F: Found WRITE statement with hardcoded unit in "issc_issc" https://cp2k.org/conv#c012 qs_loc_types.F: Found type localized_wfn_control_type without initializer https://cp2k.org/conv#c016 qs_loc_types.F: Found type qs_loc_env_type without initializer https://cp2k.org/conv#c016 qs_local_rho_types.F: Found type local_rho_type without initializer https://cp2k.org/conv#c016 qs_local_rho_types.F: Found type rhoz_type without initializer https://cp2k.org/conv#c016 qs_localization_methods.F: Found type set_c_1d_type without initializer https://cp2k.org/conv#c016 qs_localization_methods.F: Found type set_c_2d_type without initializer https://cp2k.org/conv#c016 qs_matrix_pools.F: Found type qs_matrix_pools_type without initializer https://cp2k.org/conv#c016 qs_mo_types.F: Found type mo_set_p_type without initializer https://cp2k.org/conv#c016 qs_neighbor_list_types.F: Found type list_search_type without initializer https://cp2k.org/conv#c016 qs_neighbor_list_types.F: Found type neighbor_list_iterator_p_type without initializer https://cp2k.org/conv#c016 qs_neighbor_list_types.F: Found type neighbor_list_iterator_type without initializer https://cp2k.org/conv#c016 qs_neighbor_list_types.F: Found type neighbor_list_p_type without initializer https://cp2k.org/conv#c016 qs_neighbor_list_types.F: Found type neighbor_list_set_p_type without initializer https://cp2k.org/conv#c016 qs_neighbor_list_types.F: Found type neighbor_list_set_type without initializer https://cp2k.org/conv#c016 qs_neighbor_list_types.F: Found type neighbor_list_task_type without initializer https://cp2k.org/conv#c016 qs_neighbor_list_types.F: Found type neighbor_list_type without initializer https://cp2k.org/conv#c016 qs_neighbor_list_types.F: Found type neighbor_node_type without initializer https://cp2k.org/conv#c016 qs_neighbor_lists.F: Found type local_atoms_type without initializer https://cp2k.org/conv#c016 qs_nl_hash_table_types.F: Found type nl_hash_table_data without initializer https://cp2k.org/conv#c016 qs_nl_hash_table_types.F: Found type nl_hash_table_element without initializer https://cp2k.org/conv#c016 qs_o3c_types.F: Found type o3c_container_type without initializer https://cp2k.org/conv#c016 qs_o3c_types.F: Found type o3c_int_type without initializer https://cp2k.org/conv#c016 qs_o3c_types.F: Found type o3c_iterator_type without initializer https://cp2k.org/conv#c016 qs_o3c_types.F: Found type o3c_pair_type without initializer https://cp2k.org/conv#c016 qs_o3c_types.F: Found type o3c_vec_type without initializer https://cp2k.org/conv#c016 qs_ot.F: Found WRITE statement with hardcoded unit in "qs_ot_generate_rotation" https://cp2k.org/conv#c012 qs_ot_types.F: Found type qs_ot_settings_type without initializer https://cp2k.org/conv#c016 qs_ot_types.F: Found type qs_ot_type without initializer https://cp2k.org/conv#c016 qs_p_env_types.F: Found type qs_p_env_type without initializer https://cp2k.org/conv#c016 qs_pdos.F: Found type ldos_p_type without initializer https://cp2k.org/conv#c016 qs_pdos.F: Found type ldos_type without initializer https://cp2k.org/conv#c016 qs_pdos.F: Found type r_ldos_p_type without initializer https://cp2k.org/conv#c016 qs_pdos.F: Found type r_ldos_type without initializer https://cp2k.org/conv#c016 qs_period_efield_types.F: Found type efield_berry_type without initializer https://cp2k.org/conv#c016 qs_resp.F: Found type resp_p_type without initializer https://cp2k.org/conv#c016 qs_resp.F: Found type resp_type without initializer https://cp2k.org/conv#c016 qs_rho0_types.F: Found type mpole_gau_overlap without initializer https://cp2k.org/conv#c016 qs_rho0_types.F: Found type mpole_rho_atom without initializer https://cp2k.org/conv#c016 qs_rho0_types.F: Found type rho0_atom_type without initializer https://cp2k.org/conv#c016 qs_rho0_types.F: Found type rho0_mpole_type without initializer https://cp2k.org/conv#c016 qs_rho_atom_methods.F: Found WRITE statement with hardcoded unit in "init_rho_atom" https://cp2k.org/conv#c012 qs_rho_types.F: Found type qs_rho_p_type without initializer https://cp2k.org/conv#c016 qs_scf_types.F: Found type floating_basis_type without initializer https://cp2k.org/conv#c016 qs_scf_types.F: Found type krylov_space_type without initializer https://cp2k.org/conv#c016 qs_scf_types.F: Found type qs_scf_env_type without initializer https://cp2k.org/conv#c016 qs_scf_types.F: Found type subspace_env_type without initializer https://cp2k.org/conv#c016 qs_tddfpt2_stda_types.F: Found type stda_env_type without initializer https://cp2k.org/conv#c016 qs_tddfpt2_stda_types.F: Found type stda_kind_p_type without initializer https://cp2k.org/conv#c016 qs_tddfpt2_stda_types.F: Found type stda_kind_type without initializer https://cp2k.org/conv#c016 qs_tddfpt2_types.F: Found type tddfpt_ground_state_mos without initializer https://cp2k.org/conv#c016 qs_tddfpt2_types.F: Found type tddfpt_work_matrices without initializer https://cp2k.org/conv#c016 qs_tddfpt_types.F: Found type tddfpt_env_type without initializer https://cp2k.org/conv#c016 qs_tddfpt_utils.F: Found type simple_solution_sorter without initializer https://cp2k.org/conv#c016 qs_wannier90.F: Found type berry_matrix_type without initializer https://cp2k.org/conv#c016 qs_wf_history_types.F: Found type qs_wf_history_p_type without initializer https://cp2k.org/conv#c016 qs_wf_history_types.F: Found type qs_wf_history_type without initializer https://cp2k.org/conv#c016 qs_wf_history_types.F: Found type qs_wf_snapshot_p_type without initializer https://cp2k.org/conv#c016 qs_wf_history_types.F: Found type qs_wf_snapshot_type without initializer https://cp2k.org/conv#c016 rel_control_types.F: Found type rel_control_type without initializer https://cp2k.org/conv#c016 replica_types.F: Found type replica_env_p_type without initializer https://cp2k.org/conv#c016 replica_types.F: Found type replica_env_type without initializer https://cp2k.org/conv#c016 scf_control_types.F: Found type diagonalization_type without initializer https://cp2k.org/conv#c016 scf_control_types.F: Found type scf_control_type without initializer https://cp2k.org/conv#c016 scf_control_types.F: Found type smear_type without initializer https://cp2k.org/conv#c016 se_core_matrix.F: Found WRITE statement with hardcoded unit in "aa" https://cp2k.org/conv#c012 se_core_matrix.F: Found WRITE statement with hardcoded unit in "makeds" https://cp2k.org/conv#c012 se_core_matrix.F: Found WRITE statement with hardcoded unit in "makes" https://cp2k.org/conv#c012 se_fock_matrix_coulomb.F: Found WRITE statement with hardcoded unit in "build_fock_matrix_coulomb_lr" https://cp2k.org/conv#c012 se_fock_matrix_dbg.F: Found WRITE statement with hardcoded unit in "dbg_energy_coulomb_lr" https://cp2k.org/conv#c012 semi_empirical_expns3_types.F: Found type semi_empirical_expns3_p_type without initializer https://cp2k.org/conv#c016 semi_empirical_expns3_types.F: Found type semi_empirical_expns3_type without initializer https://cp2k.org/conv#c016 semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dcore_nucint_ana" https://cp2k.org/conv#c012 semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dcorecore_ana" https://cp2k.org/conv#c012 semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_drotnuc_ana" https://cp2k.org/conv#c012 semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dssss_nucint_ana" https://cp2k.org/conv#c012 semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dterep_ana" https://cp2k.org/conv#c012 semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_rotint_ana" https://cp2k.org/conv#c012 semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_rotmat_der" https://cp2k.org/conv#c012 semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_value" https://cp2k.org/conv#c012 semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "rot_2el_2c_first_debug" https://cp2k.org/conv#c012 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" https://cp2k.org/conv#c012 semi_empirical_mpole_types.F: Found type nddo_mpole_type without initializer https://cp2k.org/conv#c016 semi_empirical_mpole_types.F: Found type semi_empirical_mpole_p_type without initializer https://cp2k.org/conv#c016 semi_empirical_mpole_types.F: Found type semi_empirical_mpole_type without initializer https://cp2k.org/conv#c016 semi_empirical_store_int_types.F: Found type semi_empirical_si_type without initializer https://cp2k.org/conv#c016 semi_empirical_types.F: Found type ewald_gks_type without initializer https://cp2k.org/conv#c016 semi_empirical_types.F: Found type rotmat_type without initializer https://cp2k.org/conv#c016 semi_empirical_types.F: Found type se_int_control_type without initializer https://cp2k.org/conv#c016 semi_empirical_types.F: Found type se_int_screen_type without initializer https://cp2k.org/conv#c016 semi_empirical_types.F: Found type se_taper_type without initializer https://cp2k.org/conv#c016 semi_empirical_types.F: Found type semi_empirical_p_type without initializer https://cp2k.org/conv#c016 semi_empirical_types.F: Found type semi_empirical_type without initializer https://cp2k.org/conv#c016 simpar_types.F: Found type simpar_type without initializer https://cp2k.org/conv#c016 spherical_harmonics.F: Found WRITE statement with hardcoded unit in "cgc" https://cp2k.org/conv#c012 spherical_harmonics.F: Found WRITE statement with hardcoded unit in "get_factor" https://cp2k.org/conv#c012 splines_types.F: Found type spline_data_p_type without initializer https://cp2k.org/conv#c016 splines_types.F: Found type spline_data_pp_type without initializer https://cp2k.org/conv#c016 splines_types.F: Found type spline_data_type without initializer https://cp2k.org/conv#c016 splines_types.F: Found type spline_environment_type without initializer https://cp2k.org/conv#c016 splines_types.F: Found type spline_factor_type without initializer https://cp2k.org/conv#c016 statistical_methods.F: Found WRITE statement with hardcoded unit in "tests" https://cp2k.org/conv#c012 subcell_types.F: Found type subcell_type without initializer https://cp2k.org/conv#c016 submatrix_dissection.F: Found type submatrix_dissection_type without initializer https://cp2k.org/conv#c016 submatrix_types.F: Found type buffer_type without initializer https://cp2k.org/conv#c016 submatrix_types.F: Found type intbuffer_type without initializer https://cp2k.org/conv#c016 swarm_mpi.F: Found CLOSE statement in procedure "logger_init_master" https://cp2k.org/conv#c204 swarm_mpi.F: Found OPEN statement in procedure "logger_finalize" https://cp2k.org/conv#c203 taper_types.F: Found type taper_type without initializer https://cp2k.org/conv#c016 task_list_methods.F: Found WRITE statement with hardcoded unit in "generate_qs_task_list" https://cp2k.org/conv#c012 timings.F: Found WRITE statement with hardcoded unit in "timestop_handler" https://cp2k.org/conv#c012 tip_scan_types.F: Found type scanning_type without initializer https://cp2k.org/conv#c016 tmc_analysis.F: Found WRITE statement with hardcoded unit in "print_average_displacement" https://cp2k.org/conv#c012 tmc_analysis.F: Found WRITE statement with hardcoded unit in "print_dipole_moment" https://cp2k.org/conv#c012 tmc_analysis.F: Found WRITE statement with hardcoded unit in "print_paircorrelation" https://cp2k.org/conv#c012 tmc_cancelation.F: Found WRITE statement with hardcoded unit in "add_to_canceling_list" https://cp2k.org/conv#c012 tmc_dot_tree.F: Found WRITE statement with hardcoded unit in "create_dot_color" https://cp2k.org/conv#c012 tmc_dot_tree.F: Found WRITE statement with hardcoded unit in "create_global_tree_dot_color" https://cp2k.org/conv#c012 tmc_messages.F: Found WRITE statement with hardcoded unit in "read_energy_result_message" https://cp2k.org/conv#c012 tmc_messages.F: Found WRITE statement with hardcoded unit in "tmc_message" https://cp2k.org/conv#c012 topology_constraint_util.F: Found WRITE statement with hardcoded unit in "setup_lcolv" https://cp2k.org/conv#c012 topology_constraint_util.F: Found WRITE statement with hardcoded unit in "setup_lg3x3" https://cp2k.org/conv#c012 topology_constraint_util.F: Found WRITE statement with hardcoded unit in "setup_lg4x6" https://cp2k.org/conv#c012 topology_coordinate_util.F: Found WRITE statement with hardcoded unit in "topology_coordinate_pack" https://cp2k.org/conv#c012 topology_generate_util.F: Found WRITE statement with hardcoded unit in "generate_molname_low" https://cp2k.org/conv#c012 topology_generate_util.F: Found WRITE statement with hardcoded unit in "topology_generate_molecule" https://cp2k.org/conv#c012 topology_gromos.F: Found READ with unchecked STAT in "read_topology_gromos" https://cp2k.org/conv#c001 topology_pdb.F: Found READ with unchecked STAT in "read_coordinate_pdb" https://cp2k.org/conv#c001 topology_types.F: Found type atom_info_type without initializer https://cp2k.org/conv#c016 topology_types.F: Found type connectivity_info_type without initializer https://cp2k.org/conv#c016 topology_types.F: Found type constr_list_type without initializer https://cp2k.org/conv#c016 topology_types.F: Found type constraint_info_type without initializer https://cp2k.org/conv#c016 topology_types.F: Found type topology_parameters_type without initializer https://cp2k.org/conv#c016 transport_env_types.F: Found type cp2k_csr_interop_type without initializer https://cp2k.org/conv#c016 transport_env_types.F: Found type cp2k_transport_parameters without initializer https://cp2k.org/conv#c016 transport_env_types.F: Found type transport_env_type without initializer https://cp2k.org/conv#c016 xc.F: Found CLOSE statement in procedure "xc_vxc_pw_create_debug" https://cp2k.org/conv#c204 xc.F: Found CLOSE statement in procedure "xc_vxc_pw_create_test_lsd" https://cp2k.org/conv#c204 xc.F: Found OPEN statement in procedure "xc_vxc_pw_create_debug" https://cp2k.org/conv#c203 xc.F: Found OPEN statement in procedure "xc_vxc_pw_create_test_lsd" https://cp2k.org/conv#c203 xc.F: Found WRITE statement with hardcoded unit in "xc_vxc_pw_create_debug" https://cp2k.org/conv#c012 xc.F: Found WRITE statement with hardcoded unit in "xc_vxc_pw_create_test_lsd" https://cp2k.org/conv#c012 xtb_matrices.F: Found type neighbor_atoms_type without initializer https://cp2k.org/conv#c016 xtb_types.F: Found type xtb_atom_type without initializer https://cp2k.org/conv#c016 xyz2dcd.F: Found CLOSE statement in procedure "xyz2dcd" https://cp2k.org/conv#c204 xyz2dcd.F: Found OPEN statement in procedure "xyz2dcd" https://cp2k.org/conv#c203 xyz2dcd.F: Found STOP statement in procedure "abort_program" https://cp2k.org/conv#c205 xyz2dcd.F: Found STOP statement in procedure "xyz2dcd" https://cp2k.org/conv#c205 xyz2dcd.F: Found WRITE statement with hardcoded unit in "abort_program" https://cp2k.org/conv#c012 xyz2dcd.F: Found WRITE statement with hardcoded unit in "print_help" https://cp2k.org/conv#c012 xyz2dcd.F: Found WRITE statement with hardcoded unit in "xyz2dcd" https://cp2k.org/conv#c012 There are 1 unused suppressions: qs_gspace_mixing.F: Found WRITE statement with hardcoded unit in "broyden_mixing_new" https://cp2k.org/conv#c012 Found 0 unsuppressed issues: Plot: name="supps", title="Suppressed Convention Violations", ylabel="# suppressions" PlotPoint: name="coding", plot="supps", label="Coding Conventions", y=504, yerr=0 Summary: Found 0 issues (504 suppressed) Status: OK Removing intermediate container a0ecbdec9370 ---> 17bc0252d824 Step 37/38 : CMD cat $(find ./report.log -mmin +10) | sed '/^Summary:/ s/$/ (cached)/' ---> Running in 9e1eace0d5d7 Removing intermediate container 9e1eace0d5d7 ---> f60f776d747e Step 38/38 : ENTRYPOINT [] ---> Running in aa656316305e Removing intermediate container aa656316305e ---> 3dcebae1124c [Warning] One or more build-args [GIT_COMMIT_SHA] were not consumed Successfully built 3dcebae1124c Successfully tagged us-central1-docker.pkg.dev/cp2k-org-project/cp2kci/img_cp2k-conventions:master Pushing new image... done. #################### Running Image cp2k-conventions #################### EndDate: 2024-04-25 06:22:52+00:00